1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one

C19H34N2O — CID 45203110

IUPAC1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one
SMILESCC1CCCN(C2CCC(=O)N(CC3CCCCC3)CC2)C1
InChIInChI=1S/C19H34N2O/c1-16-6-5-12-20(14-16)18-9-10-19(22)21(13-11-18)15-17-7-3-2-4-8-17/h16-18H,2-15H2,1H3
InChIKeyZSKMVIFDUUCSKA-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.68
Rot. Bonds3

About 1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one

1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one (PubChem CID 45203110) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one
PubChem CID45203110
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one
SMILESCC1CCCN(C2CCC(=O)N(CC3CCCCC3)CC2)C1
InChIInChI=1S/C19H34N2O/c1-16-6-5-12-20(14-16)18-9-10-19(22)21(13-11-18)15-17-7-3-2-4-8-17/h16-18H,2-15H2,1H3
InChIKeyZSKMVIFDUUCSKA-UHFFFAOYSA-N
XLogP3.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-(cyclohexylcarbonyl)-2,6-dimethyl-
CID 199799
Cyclohexyl(2-methylpiperidin-1-yl)methanone
CID 558510
1-Cyclohexylcarbonyl-2-ethylpiperidine
CID 2915910
(4aS,9aR)-2-acetyl-7-cyclohexyl-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one
CID 26742712
2-Cyclopentyl-1-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]ethanone
CID 124042367
1-(3-Cyclohexylpropanoyl)-2-ethylpiperidine
CID 2939379
(4aS,9aR)-7-cyclohexyl-2-(2,2-dimethylpropanoyl)-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one
CID 26742719
3-Methyl-1-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]butan-1-one
CID 124042365
2-Cyclopentyl-1-[4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]ethanone
CID 124042422
1-[4-(Azepan-1-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 806712
2-cyclopentyl-1-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]ethanone
CID 164640043
(5R)-5-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]-1-methylpiperidin-2-one
CID 171358977

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one (CID 45203110) is 1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one is CC1CCCN(C2CCC(=O)N(CC3CCCCC3)CC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one?
The InChIKey is ZSKMVIFDUUCSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-16-6-5-12-20(14-16)18-9-10-19(22)21(13-11-18)15-17-7-3-2-4-8-17/h16-18H,2-15H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one?
1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one has a molecular weight of 306.49 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-(3-methylpiperidin-1-yl)azepan-2-one is sourced from PubChem (CID 45203110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).