3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide

C21H25ClN2O — CID 11233617

IUPAC3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H25ClN2O/c1-24-14-13-20(16-7-10-18(22)11-8-16)17(15-24)9-12-21(25)23-19-5-3-2-4-6-19/h2-8,10-11,17,20H,9,12-15H2,1H3,(H,23,25)/t17-,20+/m0/s1
InChIKeyHSRZEKYTEIXXKE-FXAWDEMLSA-N
MW356.90 g/mol
LogP4.79
Rot. Bonds5

About 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide

3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide (PubChem CID 11233617) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide
PubChem CID11233617
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H25ClN2O/c1-24-14-13-20(16-7-10-18(22)11-8-16)17(15-24)9-12-21(25)23-19-5-3-2-4-6-19/h2-8,10-11,17,20H,9,12-15H2,1H3,(H,23,25)/t17-,20+/m0/s1
InChIKeyHSRZEKYTEIXXKE-FXAWDEMLSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide?
The IUPAC name of 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide (CID 11233617) is 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide is CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide?
The InChIKey is HSRZEKYTEIXXKE-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-24-14-13-20(16-7-10-18(22)11-8-16)17(15-24)9-12-21(25)23-19-5-3-2-4-6-19/h2-8,10-11,17,20H,9,12-15H2,1H3,(H,23,25)/t17-,20+/m0/s1.
What are the key properties of 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide?
3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide has a molecular weight of 356.90 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-phenylpropanamide is sourced from PubChem (CID 11233617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).