(3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one

C24H35N3O2 — CID 92631303

IUPAC(3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one
SMILESO=C(CN1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1)N1CCCC1
InChIInChI=1S/C24H35N3O2/c28-23(26-13-6-7-14-26)19-25-16-11-21(12-17-25)22-10-4-5-15-27(24(22)29)18-20-8-2-1-3-9-20/h1-3,8-9,21-22H,4-7,10-19H2/t22-/m1/s1
InChIKeyNEKCIPNHPIEXCW-JOCHJYFZSA-N
MW397.56 g/mol
LogP3.15
Rot. Bonds5

About (3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one

(3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one (PubChem CID 92631303) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is (3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one
PubChem CID92631303
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name(3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one
SMILESO=C(CN1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1)N1CCCC1
InChIInChI=1S/C24H35N3O2/c28-23(26-13-6-7-14-26)19-25-16-11-21(12-17-25)22-10-4-5-15-27(24(22)29)18-20-8-2-1-3-9-20/h1-3,8-9,21-22H,4-7,10-19H2/t22-/m1/s1
InChIKeyNEKCIPNHPIEXCW-JOCHJYFZSA-N
XLogP3.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one with MolForge

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Related Compounds

(3R)-1-benzyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]azepan-2-one
CID 92631686
2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 110268457
1-benzyl-3-piperidin-4-ylazepan-2-one
CID 110252435
(3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
CID 164638859
1-benzyl-3-methyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one
CID 110261947
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
N-[4-[[4-[(3S)-2-oxo-1-(2-phenylethyl)azepan-3-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95832143
1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one
CID 10382254
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-benzyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 78858914
N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 136518534
(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one?
The IUPAC name of (3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one (CID 92631303) is (3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one?
The canonical SMILES for (3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one is O=C(CN1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1)N1CCCC1.
What is the InChIKey of (3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one?
The InChIKey is NEKCIPNHPIEXCW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H35N3O2/c28-23(26-13-6-7-14-26)19-25-16-11-21(12-17-25)22-10-4-5-15-27(24(22)29)18-20-8-2-1-3-9-20/h1-3,8-9,21-22H,4-7,10-19H2/t22-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one?
(3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one has a molecular weight of 397.56 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one is sourced from PubChem (CID 92631303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).