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

C20H28N2O2 — CID 113005998

IUPAC1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H28N2O2/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/h3-5,8-9,18H,1-2,6-7,10-16H2
InChIKeyCASFRXOJDDSTFT-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.87
Rot. Bonds3

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

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 113005998) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
PubChem CID113005998
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H28N2O2/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/h3-5,8-9,18H,1-2,6-7,10-16H2
InChIKeyCASFRXOJDDSTFT-UHFFFAOYSA-N
XLogP2.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-(4-piperidin-1-ylsulfonylphenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 55469023
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119418627
2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
1-[3-(4-benzoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 78861461

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone (CID 113005998) is 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is CASFRXOJDDSTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/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/h3-5,8-9,18H,1-2,6-7,10-16H2.
What are the key properties of 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone?
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 328.46 g/mol, XLogP of 2.87, 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-phenylethanone is sourced from PubChem (CID 113005998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).