3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one

C18H34N2O — CID 107428755

IUPAC3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C)CC1CCCC(NCCC(=O)N2CCCCC2)C1
InChIInChI=1S/C18H34N2O/c1-15(2)13-16-7-6-8-17(14-16)19-10-9-18(21)20-11-4-3-5-12-20/h15-17,19H,3-14H2,1-2H3
InChIKeyCPUKQJHUZIIQSU-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.58
Rot. Bonds6

About 3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one

3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 107428755) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID107428755
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C)CC1CCCC(NCCC(=O)N2CCCCC2)C1
InChIInChI=1S/C18H34N2O/c1-15(2)13-16-7-6-8-17(14-16)19-10-9-18(21)20-11-4-3-5-12-20/h15-17,19H,3-14H2,1-2H3
InChIKeyCPUKQJHUZIIQSU-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64593683
3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113411272
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 115584441
3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
CID 107428771
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
2,2-dimethyl-3-[[3-(2-methylpropyl)cyclohexyl]amino]propanamide
CID 114078633
3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
CID 107427844
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one
CID 103991051
3-(2-methylpropyl)-N-(2-prop-2-ynylsulfanylethyl)cyclohexan-1-amine
CID 114187361
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43768079
N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427829

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one (CID 107428755) is 3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one is CC(C)CC1CCCC(NCCC(=O)N2CCCCC2)C1.
What is the InChIKey of 3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is CPUKQJHUZIIQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-15(2)13-16-7-6-8-17(14-16)19-10-9-18(21)20-11-4-3-5-12-20/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one?
3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 294.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 107428755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).