(3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one

C24H36N2O — CID 92631748

IUPAC(3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one
SMILESO=C1[C@@H](C2CCN(C3CCCC3)CC2)CCCCN1CCc1ccccc1
InChIInChI=1S/C24H36N2O/c27-24-23(21-14-18-25(19-15-21)22-10-4-5-11-22)12-6-7-16-26(24)17-13-20-8-2-1-3-9-20/h1-3,8-9,21-23H,4-7,10-19H2/t23-/m1/s1
InChIKeyNDHUHNCELROHBB-HSZRJFAPSA-N
MW368.57 g/mol
LogP4.51
Rot. Bonds5

About (3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one

(3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one (PubChem CID 92631748) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is (3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one.

Molecular Properties

Compound Name(3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one
PubChem CID92631748
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name(3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one
SMILESO=C1[C@@H](C2CCN(C3CCCC3)CC2)CCCCN1CCc1ccccc1
InChIInChI=1S/C24H36N2O/c27-24-23(21-14-18-25(19-15-21)22-10-4-5-11-22)12-6-7-16-26(24)17-13-20-8-2-1-3-9-20/h1-3,8-9,21-23H,4-7,10-19H2/t23-/m1/s1
InChIKeyNDHUHNCELROHBB-HSZRJFAPSA-N
XLogP4.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one
CID 124953467
N-[4-[[4-[(3S)-2-oxo-1-(2-phenylethyl)azepan-3-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95832143
(3S)-3-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-1-(2-phenylethyl)azepan-2-one
CID 92631310
3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-(2-phenylethyl)azepan-2-one
CID 110261906
3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]-1-(2-phenylethyl)azepan-2-one
CID 110261900
1-benzyl-3-piperidin-4-ylazepan-2-one
CID 110252435
2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933
8-cyclopentyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70707226
1-(2-phenylethyl)-3-(1-phenylselanylethenyl)azepan-2-one
CID 101476539
1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one
CID 141063687
(3R)-1-benzyl-3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]azepan-2-one
CID 92631303
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one?
The IUPAC name of (3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one (CID 92631748) is (3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one.
What is the SMILES notation for (3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one?
The canonical SMILES for (3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one is O=C1[C@@H](C2CCN(C3CCCC3)CC2)CCCCN1CCc1ccccc1.
What is the InChIKey of (3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one?
The InChIKey is NDHUHNCELROHBB-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H36N2O/c27-24-23(21-14-18-25(19-15-21)22-10-4-5-11-22)12-6-7-16-26(24)17-13-20-8-2-1-3-9-20/h1-3,8-9,21-23H,4-7,10-19H2/t23-/m1/s1.
What are the key properties of (3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one?
(3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one has a molecular weight of 368.57 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one is sourced from PubChem (CID 92631748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).