cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone

C81H140FN15O9 — CID 160651295

IUPACcyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)N1CC2CC(C1)N2C(=O)C1CCCC1.CC(C)N1CC2CC(C1)N2C(=O)C1CCCO1.CC(C)N1CC2CC(C1)N2C(=O)C1CCOCC1.CC(C)N1CC2CC(C1)N2C(=O)N1CCC(F)C1.CC(C)N1CC2CC(C1)N2C(=O)N1CCCC1.COC1CCN(C(=O)N2C3CC2CN(C(C)C)C3)C1
InChIInChI=1S/C14H25N3O2.C14H24N2O2.C14H24N2O.C13H22FN3O.C13H23N3O.C13H22N2O2/c1-10(2)16-7-11-6-12(8-16)17(11)14(18)15-5-4-13(9-15)19-3;1-10(2)15-8-12-7-13(9-15)16(12)14(17)11-3-5-18-6-4-11;1-10(2)15-8-12-7-13(9-15)16(12)14(17)11-5-3-4-6-11;1-9(2)16-7-11-5-12(8-16)17(11)13(18)15-4-3-10(14)6-15;1-10(2)15-8-11-7-12(9-15)16(11)13(17)14-5-3-4-6-14;1-9(2)14-7-10-6-11(8-14)15(10)13(16)12-4-3-5-17-12/h10-13H,4-9H2,1-3H3;10-13H,3-9H2,1-2H3;10-13H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;10-12H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3
InChIKeyRKLMASKOGHGZQL-UHFFFAOYSA-N
MW1487.10 g/mol
LogP7.52
Rot. Bonds10

About cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone

cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone (PubChem CID 160651295) has the molecular formula C81H140FN15O9 and a molecular weight of 1487.10 g/mol. Its IUPAC name is cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Namecyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
PubChem CID160651295
Molecular FormulaC81H140FN15O9
Molecular Weight1487.10 g/mol
Exact Mass1486.09
IUPAC Namecyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)N1CC2CC(C1)N2C(=O)C1CCCC1.CC(C)N1CC2CC(C1)N2C(=O)C1CCCO1.CC(C)N1CC2CC(C1)N2C(=O)C1CCOCC1.CC(C)N1CC2CC(C1)N2C(=O)N1CCC(F)C1.CC(C)N1CC2CC(C1)N2C(=O)N1CCCC1.COC1CCN(C(=O)N2C3CC2CN(C(C)C)C3)C1
InChIInChI=1S/C14H25N3O2.C14H24N2O2.C14H24N2O.C13H22FN3O.C13H23N3O.C13H22N2O2/c1-10(2)16-7-11-6-12(8-16)17(11)14(18)15-5-4-13(9-15)19-3;1-10(2)15-8-12-7-13(9-15)16(12)14(17)11-3-5-18-6-4-11;1-10(2)15-8-12-7-13(9-15)16(12)14(17)11-5-3-4-6-11;1-9(2)16-7-11-5-12(8-16)17(11)13(18)15-4-3-10(14)6-15;1-10(2)15-8-11-7-12(9-15)16(11)13(17)14-5-3-4-6-14;1-9(2)14-7-10-6-11(8-14)15(10)13(16)12-4-3-5-17-12/h10-13H,4-9H2,1-3H3;10-13H,3-9H2,1-2H3;10-13H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;10-12H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3
InChIKeyRKLMASKOGHGZQL-UHFFFAOYSA-N
XLogP7.52
TPSA178.71 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001487.10
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506567
cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506569
(3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 126752724
(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone
CID 122269046
oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126892184
piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 156837063
methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate
CID 78919120
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone
CID 89273584
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone
CID 103873635
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R)-oxolan-2-yl]methanone
CID 103850249

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone (CID 160651295) is cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone is CC(C)N1CC2CC(C1)N2C(=O)C1CCCC1.CC(C)N1CC2CC(C1)N2C(=O)C1CCCO1.CC(C)N1CC2CC(C1)N2C(=O)C1CCOCC1.CC(C)N1CC2CC(C1)N2C(=O)N1CCC(F)C1.CC(C)N1CC2CC(C1)N2C(=O)N1CCCC1.COC1CCN(C(=O)N2C3CC2CN(C(C)C)C3)C1.
What is the InChIKey of cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is RKLMASKOGHGZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.C14H24N2O2.C14H24N2O.C13H22FN3O.C13H23N3O.C13H22N2O2/c1-10(2)16-7-11-6-12(8-16)17(11)14(18)15-5-4-13(9-15)19-3;1-10(2)15-8-12-7-13(9-15)16(12)14(17)11-3-5-18-6-4-11;1-10(2)15-8-12-7-13(9-15)16(12)14(17)11-5-3-4-6-11;1-9(2)16-7-11-5-12(8-16)17(11)13(18)15-4-3-10(14)6-15;1-10(2)15-8-11-7-12(9-15)16(11)13(17)14-5-3-4-6-14;1-9(2)14-7-10-6-11(8-14)15(10)13(16)12-4-3-5-17-12/h10-13H,4-9H2,1-3H3;10-13H,3-9H2,1-2H3;10-13H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;10-12H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3.
What are the key properties of cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone?
cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 1487.10 g/mol, XLogP of 7.52, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-methoxypyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxan-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;oxolan-2-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 160651295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).