(3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one

C19H28N2O — CID 124953467

IUPAC(3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one
SMILESO=C1[C@@H](C2CCNCC2)CCCCN1CCc1ccccc1
InChIInChI=1S/C19H28N2O/c22-19-18(17-9-12-20-13-10-17)8-4-5-14-21(19)15-11-16-6-2-1-3-7-16/h1-3,6-7,17-18,20H,4-5,8-15H2/t18-/m1/s1
InChIKeyDVKBQWZHXJBLDY-GOSISDBHSA-N
MW300.45 g/mol
LogP2.86
Rot. Bonds4

About (3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one

(3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one (PubChem CID 124953467) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one.

Molecular Properties

Compound Name(3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one
PubChem CID124953467
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one
SMILESO=C1[C@@H](C2CCNCC2)CCCCN1CCc1ccccc1
InChIInChI=1S/C19H28N2O/c22-19-18(17-9-12-20-13-10-17)8-4-5-14-21(19)15-11-16-6-2-1-3-7-16/h1-3,6-7,17-18,20H,4-5,8-15H2/t18-/m1/s1
InChIKeyDVKBQWZHXJBLDY-GOSISDBHSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-piperidin-4-ylazepan-2-one
CID 110252435
(3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one
CID 92631748
(3S)-3-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-1-(2-phenylethyl)azepan-2-one
CID 92631310
N-[4-[[4-[(3S)-2-oxo-1-(2-phenylethyl)azepan-3-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95832143
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
2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933
1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one
CID 141063687
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743
(3R)-1-benzyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]azepan-2-one
CID 92631686
1-(2-phenylethyl)-3-(1-phenylselanylethenyl)azepan-2-one
CID 101476539
3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741125

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one?
The IUPAC name of (3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one (CID 124953467) is (3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one.
What is the SMILES notation for (3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one?
The canonical SMILES for (3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one is O=C1[C@@H](C2CCNCC2)CCCCN1CCc1ccccc1.
What is the InChIKey of (3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one?
The InChIKey is DVKBQWZHXJBLDY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N2O/c22-19-18(17-9-12-20-13-10-17)8-4-5-14-21(19)15-11-16-6-2-1-3-7-16/h1-3,6-7,17-18,20H,4-5,8-15H2/t18-/m1/s1.
What are the key properties of (3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one?
(3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one has a molecular weight of 300.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one is sourced from PubChem (CID 124953467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).