[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone

C18H30N2O2 — CID 134029844

IUPAC[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCN(C(=O)C2CCCC2)CC1)N1CCCCCC1
InChIInChI=1S/C18H30N2O2/c21-17(15-7-3-4-8-15)20-13-9-16(10-14-20)18(22)19-11-5-1-2-6-12-19/h15-16H,1-14H2
InChIKeyFDQHHKOGSVSBFQ-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.82
Rot. Bonds2

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

[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone (PubChem CID 134029844) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is [4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
PubChem CID134029844
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCN(C(=O)C2CCCC2)CC1)N1CCCCCC1
InChIInChI=1S/C18H30N2O2/c21-17(15-7-3-4-8-15)20-13-9-16(10-14-20)18(22)19-11-5-1-2-6-12-19/h15-16H,1-14H2
InChIKeyFDQHHKOGSVSBFQ-UHFFFAOYSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde
CID 18352871
1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
CID 129355291
piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3564554
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
cycloheptyl(thiomorpholin-4-yl)methanone
CID 71934333

Frequently Asked Questions

What is the IUPAC name of [4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone (CID 134029844) is [4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone is O=C(C1CCN(C(=O)C2CCCC2)CC1)N1CCCCCC1.
What is the InChIKey of [4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone?
The InChIKey is FDQHHKOGSVSBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c21-17(15-7-3-4-8-15)20-13-9-16(10-14-20)18(22)19-11-5-1-2-6-12-19/h15-16H,1-14H2.
What are the key properties of [4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone?
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone has a molecular weight of 306.45 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 134029844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).