N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide

C32H38ClN3O2 — CID 72547640

IUPACN-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide
SMILESO=C(N[C@@H](CCCN1CCC(Cc2ccccc2)CC1)C(=O)NCCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C32H38ClN3O2/c33-29-15-8-7-14-28(29)31(37)35-30(32(38)34-20-17-25-10-3-1-4-11-25)16-9-21-36-22-18-27(19-23-36)24-26-12-5-2-6-13-26/h1-8,10-15,27,30H,9,16-24H2,(H,34,38)(H,35,37)/t30-/m0/s1
InChIKeyOQUBAPDFXAGTKF-PMERELPUSA-N
MW532.13 g/mol
LogP5.53
Rot. Bonds12

About N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide

N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide (PubChem CID 72547640) has the molecular formula C32H38ClN3O2 and a molecular weight of 532.13 g/mol. Its IUPAC name is N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide
PubChem CID72547640
Molecular FormulaC32H38ClN3O2
Molecular Weight532.13 g/mol
Exact Mass531.27
IUPAC NameN-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide
SMILESO=C(N[C@@H](CCCN1CCC(Cc2ccccc2)CC1)C(=O)NCCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C32H38ClN3O2/c33-29-15-8-7-14-28(29)31(37)35-30(32(38)34-20-17-25-10-3-1-4-11-25)16-9-21-36-22-18-27(19-23-36)24-26-12-5-2-6-13-26/h1-8,10-15,27,30H,9,16-24H2,(H,34,38)(H,35,37)/t30-/m0/s1
InChIKeyOQUBAPDFXAGTKF-PMERELPUSA-N
XLogP5.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.13
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide with MolForge

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Related Compounds

N-[(2S)-1-oxo-5-piperidin-1-yl-1-[2-[4-(trifluoromethyl)phenyl]ethylamino]pentan-2-yl]-2-phenylbenzamide
CID 72548109
N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
CID 122188500
N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide
CID 123327979
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride
CID 21477563
2-chloro-N-[4-methylsulfanyl-1-oxo-1-[(1-phenylpyrrolidin-3-yl)methylamino]butan-2-yl]benzamide
CID 55621795
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide
CID 58967885
2-chloro-N-[(2S)-1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51941916
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide
CID 155427764
2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 5219081

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide?
The IUPAC name of N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide (CID 72547640) is N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide?
The canonical SMILES for N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide is O=C(N[C@@H](CCCN1CCC(Cc2ccccc2)CC1)C(=O)NCCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide?
The InChIKey is OQUBAPDFXAGTKF-PMERELPUSA-N. The full InChI is InChI=1S/C32H38ClN3O2/c33-29-15-8-7-14-28(29)31(37)35-30(32(38)34-20-17-25-10-3-1-4-11-25)16-9-21-36-22-18-27(19-23-36)24-26-12-5-2-6-13-26/h1-8,10-15,27,30H,9,16-24H2,(H,34,38)(H,35,37)/t30-/m0/s1.
What are the key properties of N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide?
N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide has a molecular weight of 532.13 g/mol, XLogP of 5.53, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide is sourced from PubChem (CID 72547640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).