(3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one

C19H26N2O2 — CID 164638859

IUPAC(3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
SMILESO=C(C[C@H]1CCCCN(Cc2ccccc2)C1=O)N1CCCC1
InChIInChI=1S/C19H26N2O2/c22-18(20-11-6-7-12-20)14-17-10-4-5-13-21(19(17)23)15-16-8-2-1-3-9-16/h1-3,8-9,17H,4-7,10-15H2/t17-/m1/s1
InChIKeyQOLIBNOASJKTAU-QGZVFWFLSA-N
MW314.43 g/mol
LogP2.83
Rot. Bonds4

About (3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one

(3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one (PubChem CID 164638859) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
PubChem CID164638859
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
SMILESO=C(C[C@H]1CCCCN(Cc2ccccc2)C1=O)N1CCCC1
InChIInChI=1S/C19H26N2O2/c22-18(20-11-6-7-12-20)14-17-10-4-5-13-21(19(17)23)15-16-8-2-1-3-9-16/h1-3,8-9,17H,4-7,10-15H2/t17-/m1/s1
InChIKeyQOLIBNOASJKTAU-QGZVFWFLSA-N
XLogP2.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
(3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one
CID 92631303
1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one
CID 59305555
1-benzyl-3-ethylpiperidin-2-one
CID 13440525
(E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium
CID 10707247
methoxycarbonyl 2-(1-benzyl-2-oxopiperidin-3-yl)acetate
CID 10756957
(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
(3R)-1-benzyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]azepan-2-one
CID 92631686
(E)-7-(1-benzyl-2-oxopiperidin-3-yl)hept-2-enoic acid
CID 122399337
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
2-acetamido-N-[(3S)-1-benzyl-2-oxoazepan-3-yl]propanamide
CID 59872516

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one?
The IUPAC name of (3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one (CID 164638859) is (3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one?
The canonical SMILES for (3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one is O=C(C[C@H]1CCCCN(Cc2ccccc2)C1=O)N1CCCC1.
What is the InChIKey of (3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one?
The InChIKey is QOLIBNOASJKTAU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18(20-11-6-7-12-20)14-17-10-4-5-13-21(19(17)23)15-16-8-2-1-3-9-16/h1-3,8-9,17H,4-7,10-15H2/t17-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one?
(3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one is sourced from PubChem (CID 164638859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).