(4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one

C23H30N2O — CID 58723486

IUPAC(4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one
SMILESN[C@@H](CCC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C23H30N2O/c24-22(18-20-9-5-2-6-10-20)11-12-23(26)25-15-13-21(14-16-25)17-19-7-3-1-4-8-19/h1-10,21-22H,11-18,24H2/t22-/m0/s1
InChIKeyJKMJEALVIXIKIW-QFIPXVFZSA-N
MW350.51 g/mol
LogP3.82
Rot. Bonds7

About (4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one

(4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one (PubChem CID 58723486) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is (4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one.

Molecular Properties

Compound Name(4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one
PubChem CID58723486
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name(4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one
SMILESN[C@@H](CCC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C23H30N2O/c24-22(18-20-9-5-2-6-10-20)11-12-23(26)25-15-13-21(14-16-25)17-19-7-3-1-4-8-19/h1-10,21-22H,11-18,24H2/t22-/m0/s1
InChIKeyJKMJEALVIXIKIW-QFIPXVFZSA-N
XLogP3.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
(2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one
CID 72839247
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118967
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
CID 103830858

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one?
The IUPAC name of (4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one (CID 58723486) is (4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one.
What is the SMILES notation for (4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one?
The canonical SMILES for (4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one is N[C@@H](CCC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccccc1.
What is the InChIKey of (4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one?
The InChIKey is JKMJEALVIXIKIW-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30N2O/c24-22(18-20-9-5-2-6-10-20)11-12-23(26)25-15-13-21(14-16-25)17-19-7-3-1-4-8-19/h1-10,21-22H,11-18,24H2/t22-/m0/s1.
What are the key properties of (4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one?
(4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one has a molecular weight of 350.51 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one is sourced from PubChem (CID 58723486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).