1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone

C20H34N2O2 — CID 46295186

IUPAC1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(C(=O)C2CCCCC2)CC1)N1CCCCCC1
InChIInChI=1S/C20H34N2O2/c23-19(21-12-6-1-2-7-13-21)16-17-10-14-22(15-11-17)20(24)18-8-4-3-5-9-18/h17-18H,1-16H2
InChIKeyPLFANLLCDLDZRF-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.60
Rot. Bonds3

About 1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone

1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone (PubChem CID 46295186) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
PubChem CID46295186
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(C(=O)C2CCCCC2)CC1)N1CCCCCC1
InChIInChI=1S/C20H34N2O2/c23-19(21-12-6-1-2-7-13-21)16-17-10-14-22(15-11-17)20(24)18-8-4-3-5-9-18/h17-18H,1-16H2
InChIKeyPLFANLLCDLDZRF-UHFFFAOYSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 58615983
2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 99849854
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 155871416
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
aziridin-1-yl(cyclohexyl)methanone
CID 2309619

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone (CID 46295186) is 1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone is O=C(CC1CCN(C(=O)C2CCCCC2)CC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone?
The InChIKey is PLFANLLCDLDZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c23-19(21-12-6-1-2-7-13-21)16-17-10-14-22(15-11-17)20(24)18-8-4-3-5-9-18/h17-18H,1-16H2.
What are the key properties of 1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone?
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone has a molecular weight of 334.50 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 46295186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).