1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone

C20H34N2O2 — CID 134029886

IUPAC1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H34N2O2/c23-19(16-17-8-4-3-5-9-17)21-14-10-18(11-15-21)20(24)22-12-6-1-2-7-13-22/h17-18H,1-16H2
InChIKeyUYGHLNIVZSCNRL-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.60
Rot. Bonds3

About 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone (PubChem CID 134029886) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
PubChem CID134029886
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H34N2O2/c23-19(16-17-8-4-3-5-9-17)21-14-10-18(11-15-21)20(24)22-12-6-1-2-7-13-22/h17-18H,1-16H2
InChIKeyUYGHLNIVZSCNRL-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-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 58615983
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 55567324
2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 155871416
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-chloroethanone
CID 52908095
2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 99849854
2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119767012
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone (CID 134029886) is 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone is O=C(CC1CCCCC1)N1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone?
The InChIKey is UYGHLNIVZSCNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c23-19(16-17-8-4-3-5-9-17)21-14-10-18(11-15-21)20(24)22-12-6-1-2-7-13-22/h17-18H,1-16H2.
What are the key properties of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone?
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone 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-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone is sourced from PubChem (CID 134029886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).