[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone

C17H28N2O2 — CID 109140675

IUPAC[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
SMILESO=C(C1CC1C(=O)N1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C17H28N2O2/c20-16(18-9-5-1-2-6-10-18)14-13-15(14)17(21)19-11-7-3-4-8-12-19/h14-15H,1-13H2
InChIKeyBVOYWKDLIZNICY-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.43
Rot. Bonds2

About [2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone

[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone (PubChem CID 109140675) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone.

Molecular Properties

Compound Name[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
PubChem CID109140675
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
SMILESO=C(C1CC1C(=O)N1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C17H28N2O2/c20-16(18-9-5-1-2-6-10-18)14-13-15(14)17(21)19-11-7-3-4-8-12-19/h14-15H,1-13H2
InChIKeyBVOYWKDLIZNICY-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
[(2S)-2-fluorocyclopropyl]-piperidin-1-ylmethanone
CID 154357198
[(2R)-2-fluorocyclopropyl]-pyrrolidin-1-ylmethanone
CID 139324368
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854

Frequently Asked Questions

What is the IUPAC name of [2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone?
The IUPAC name of [2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone (CID 109140675) is [2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone.
What is the SMILES notation for [2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone?
The canonical SMILES for [2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone is O=C(C1CC1C(=O)N1CCCCCC1)N1CCCCCC1.
What is the InChIKey of [2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone?
The InChIKey is BVOYWKDLIZNICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16(18-9-5-1-2-6-10-18)14-13-15(14)17(21)19-11-7-3-4-8-12-19/h14-15H,1-13H2.
What are the key properties of [2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone?
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone has a molecular weight of 292.42 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone is sourced from PubChem (CID 109140675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).