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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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).