1-benzyl-3-piperidin-4-ylazepan-2-one

C18H26N2O — CID 110252435

IUPAC1-benzyl-3-piperidin-4-ylazepan-2-one
SMILESO=C1C(C2CCNCC2)CCCCN1Cc1ccccc1
InChIInChI=1S/C18H26N2O/c21-18-17(16-9-11-19-12-10-16)8-4-5-13-20(18)14-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2
InChIKeyOEIODIBLEAAOFZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.81
Rot. Bonds3

About 1-benzyl-3-piperidin-4-ylazepan-2-one

1-benzyl-3-piperidin-4-ylazepan-2-one (PubChem CID 110252435) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-benzyl-3-piperidin-4-ylazepan-2-one.

Molecular Properties

Compound Name1-benzyl-3-piperidin-4-ylazepan-2-one
PubChem CID110252435
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-benzyl-3-piperidin-4-ylazepan-2-one
SMILESO=C1C(C2CCNCC2)CCCCN1Cc1ccccc1
InChIInChI=1S/C18H26N2O/c21-18-17(16-9-11-19-12-10-16)8-4-5-13-20(18)14-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2
InChIKeyOEIODIBLEAAOFZ-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one
CID 124953467
(3R)-1-benzyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]azepan-2-one
CID 92631686
(3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one
CID 92631303
(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
(3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one
CID 92631748
2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 110268457
1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one
CID 10382254
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
1-benzyl-3-ethylpiperidin-2-one
CID 13440525
4-(azepane-4-carbonyl)-1-benzylpiperazin-2-one
CID 118794851
4-benzyl-6-piperidin-4-ylmorpholin-3-one
CID 115067805
(3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
CID 164638859

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-piperidin-4-ylazepan-2-one?
The IUPAC name of 1-benzyl-3-piperidin-4-ylazepan-2-one (CID 110252435) is 1-benzyl-3-piperidin-4-ylazepan-2-one.
What is the SMILES notation for 1-benzyl-3-piperidin-4-ylazepan-2-one?
The canonical SMILES for 1-benzyl-3-piperidin-4-ylazepan-2-one is O=C1C(C2CCNCC2)CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-piperidin-4-ylazepan-2-one?
The InChIKey is OEIODIBLEAAOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18-17(16-9-11-19-12-10-16)8-4-5-13-20(18)14-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2.
What are the key properties of 1-benzyl-3-piperidin-4-ylazepan-2-one?
1-benzyl-3-piperidin-4-ylazepan-2-one has a molecular weight of 286.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-piperidin-4-ylazepan-2-one is sourced from PubChem (CID 110252435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).