1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

C21H25ClN2O — CID 1343521

IUPAC1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C21H25ClN2O/c1-16(18-7-3-2-4-8-18)23-21(25)19-10-12-24(13-11-19)15-17-6-5-9-20(22)14-17/h2-9,14,16,19H,10-13,15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyOPFKIWVVVAIRMJ-INIZCTEOSA-N
MW356.90 g/mol
LogP4.43
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 1343521) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID1343521
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C21H25ClN2O/c1-16(18-7-3-2-4-8-18)23-21(25)19-10-12-24(13-11-19)15-17-6-5-9-20(22)14-17/h2-9,14,16,19H,10-13,15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyOPFKIWVVVAIRMJ-INIZCTEOSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 100751573
1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 46776268
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
1-[(3-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776366
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7316831
1-benzyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 94013631
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3914392
1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide
CID 133230458

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (CID 1343521) is 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is C[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is OPFKIWVVVAIRMJ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-16(18-7-3-2-4-8-18)23-21(25)19-10-12-24(13-11-19)15-17-6-5-9-20(22)14-17/h2-9,14,16,19H,10-13,15H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 356.90 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 1343521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).