1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone

C18H33N3O — CID 177010419

IUPAC1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(CC(=O)N2CC3(C2)CN(C(C)C)C3)CC1
InChIInChI=1S/C18H33N3O/c1-14(2)19-7-5-16(6-8-19)9-17(22)21-12-18(13-21)10-20(11-18)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyKIVASKWFPJXTSX-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.05
Rot. Bonds4

About 1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone

1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 177010419) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is 1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
PubChem CID177010419
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(CC(=O)N2CC3(C2)CN(C(C)C)C3)CC1
InChIInChI=1S/C18H33N3O/c1-14(2)19-7-5-16(6-8-19)9-17(22)21-12-18(13-21)10-20(11-18)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyKIVASKWFPJXTSX-UHFFFAOYSA-N
XLogP2.05
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone
CID 155880003
2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone
CID 176983354
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72896818
2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane
CID 170666585
2-[(1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enal
CID 117266767
2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 97392926
2-(1-propan-2-ylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]ethanone
CID 72883585
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 169410768
2-(3-aminocyclohexyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 62781702
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719

Frequently Asked Questions

What is the IUPAC name of 1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone (CID 177010419) is 1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone is CC(C)N1CCC(CC(=O)N2CC3(C2)CN(C(C)C)C3)CC1.
What is the InChIKey of 1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The InChIKey is KIVASKWFPJXTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-14(2)19-7-5-16(6-8-19)9-17(22)21-12-18(13-21)10-20(11-18)15(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 307.48 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 177010419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).