3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one

C16H28N2O — CID 86983873

IUPAC3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C1CC1)N(CCC(=O)N1CCCCC1)C1CC1
InChIInChI=1S/C16H28N2O/c1-13(14-5-6-14)18(15-7-8-15)12-9-16(19)17-10-3-2-4-11-17/h13-15H,2-12H2,1H3
InChIKeyHQWHACRWUWMCIX-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.65
Rot. Bonds6

About 3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one

3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 86983873) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID86983873
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C1CC1)N(CCC(=O)N1CCCCC1)C1CC1
InChIInChI=1S/C16H28N2O/c1-13(14-5-6-14)18(15-7-8-15)12-9-16(19)17-10-3-2-4-11-17/h13-15H,2-12H2,1H3
InChIKeyHQWHACRWUWMCIX-UHFFFAOYSA-N
XLogP2.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone
CID 95588688
1-(azepan-1-yl)-2-[[(1S)-1-cyclopropylethyl]-methylamino]ethanone
CID 95588686
3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980934
3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60500884
3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203458
3-[cyclohexyl(2-hydroxyethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 111114274
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137008
(4S)-4,5-dimethyl-1-pyrrolidin-1-ylhexan-1-one
CID 169219250
3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 162750091
N-cyclopropyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 814973
1-(azepan-1-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one
CID 109026751

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one (CID 86983873) is 3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one is CC(C1CC1)N(CCC(=O)N1CCCCC1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is HQWHACRWUWMCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(14-5-6-14)18(15-7-8-15)12-9-16(19)17-10-3-2-4-11-17/h13-15H,2-12H2,1H3.
What are the key properties of 3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one?
3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 264.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 86983873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).