(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone

C13H23N3O — CID 134435892

IUPAC(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)N1CC2CC(C1)N2C(=O)N1CCCC1
InChIInChI=1S/C13H23N3O/c1-10(2)15-8-11-7-12(9-15)16(11)13(17)14-5-3-4-6-14/h10-12H,3-9H2,1-2H3
InChIKeyKTCXPNOMFJJKIA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.37
Rot. Bonds1

About (3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone

(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone (PubChem CID 134435892) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
PubChem CID134435892
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)N1CC2CC(C1)N2C(=O)N1CCCC1
InChIInChI=1S/C13H23N3O/c1-10(2)15-8-11-7-12(9-15)16(11)13(17)14-5-3-4-6-14/h10-12H,3-9H2,1-2H3
InChIKeyKTCXPNOMFJJKIA-UHFFFAOYSA-N
XLogP1.37
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

(3-Fluoropyrrolidin-1-yl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134435883
(3-Fluoropyrrolidin-1-yl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134516725
(3-Tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(3-fluoropyrrolidin-1-yl)methanone
CID 156181454
Piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 20477778
1-Methyl-3-(1-methylpiperidin-4-yl)imidazolidin-2-one
CID 21345346
4-Methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one
CID 21418004
(4-Cyclobutylpiperazin-1-yl)-piperidin-1-ylmethanone
CID 68817963
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 68819882
(3-Methyl-4-propan-2-ylpiperazin-1-yl)-piperidin-1-ylmethanone
CID 77559302
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-piperidin-1-ylmethanone
CID 91223797
(3,4-Dimethylpiperazin-1-yl)-piperidin-1-ylmethanone
CID 91375448
Piperidin-1-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 113498498

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone (CID 134435892) is (3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone is CC(C)N1CC2CC(C1)N2C(=O)N1CCCC1.
What is the InChIKey of (3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is KTCXPNOMFJJKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)15-8-11-7-12(9-15)16(11)13(17)14-5-3-4-6-14/h10-12H,3-9H2,1-2H3.
What are the key properties of (3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone?
(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 237.35 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134435892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).