3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide

C22H25ClN2O2 — CID 67104681

IUPAC3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide
SMILESC[C@@H](c1ccc(Cl)cc1)N1CCC(CCC(N)=O)(c2ccccc2)CC1=O
InChIInChI=1S/C22H25ClN2O2/c1-16(17-7-9-19(23)10-8-17)25-14-13-22(15-21(25)27,12-11-20(24)26)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H2,24,26)/t16-,22?/m0/s1
InChIKeyXDSZXQZNEAOVCJ-CISYCMJJSA-N
MW384.91 g/mol
LogP4.23
Rot. Bonds6

About 3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide

3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide (PubChem CID 67104681) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide
PubChem CID67104681
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide
SMILESC[C@@H](c1ccc(Cl)cc1)N1CCC(CCC(N)=O)(c2ccccc2)CC1=O
InChIInChI=1S/C22H25ClN2O2/c1-16(17-7-9-19(23)10-8-17)25-14-13-22(15-21(25)27,12-11-20(24)26)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H2,24,26)/t16-,22?/m0/s1
InChIKeyXDSZXQZNEAOVCJ-CISYCMJJSA-N
XLogP4.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
CID 74947211
(4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one
CID 67105259
1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one
CID 67104529
4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one
CID 67105173
3-[(6S)-3-[(1S)-1-(4-chlorophenyl)ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide
CID 66857616
1-[(1S)-1-(4-bromophenyl)ethyl]-4-(2-hydroxy-2-methylpropyl)-4-phenylpiperidin-2-one
CID 67104614
3-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
CID 67104912
3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
CID 67104915
(4S)-1-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)-4-phenylpiperidin-2-one
CID 143832756
1-[(1S)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-phenylpiperidin-2-one
CID 67104742
CID 158969332
CID 158969332
(4R)-4-(2-hydroxy-2-methylpropyl)-4-phenyl-1-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]piperidin-2-one
CID 58237932

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide?
The IUPAC name of 3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide (CID 67104681) is 3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide.
What is the SMILES notation for 3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide?
The canonical SMILES for 3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide is C[C@@H](c1ccc(Cl)cc1)N1CCC(CCC(N)=O)(c2ccccc2)CC1=O.
What is the InChIKey of 3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide?
The InChIKey is XDSZXQZNEAOVCJ-CISYCMJJSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-16(17-7-9-19(23)10-8-17)25-14-13-22(15-21(25)27,12-11-20(24)26)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H2,24,26)/t16-,22?/m0/s1.
What are the key properties of 3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide?
3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide has a molecular weight of 384.91 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide is sourced from PubChem (CID 67104681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).