1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide

C23H29ClN2O3S — CID 46766881

IUPAC1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H29ClN2O3S/c1-3-22(18-7-9-21(10-8-18)30(2,28)29)25-23(27)19-11-13-26(14-12-19)16-17-5-4-6-20(24)15-17/h4-10,15,19,22H,3,11-14,16H2,1-2H3,(H,25,27)
InChIKeyAANBERVWZWRWII-UHFFFAOYSA-N
MW449.02 g/mol
LogP4.22
Rot. Bonds7

About 1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide

1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 46766881) has the molecular formula C23H29ClN2O3S and a molecular weight of 449.02 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
PubChem CID46766881
Molecular FormulaC23H29ClN2O3S
Molecular Weight449.02 g/mol
Exact Mass448.16
IUPAC Name1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H29ClN2O3S/c1-3-22(18-7-9-21(10-8-18)30(2,28)29)25-23(27)19-11-13-26(14-12-19)16-17-5-4-6-20(24)15-17/h4-10,15,19,22H,3,11-14,16H2,1-2H3,(H,25,27)
InChIKeyAANBERVWZWRWII-UHFFFAOYSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.02
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024759
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide
CID 94014096
1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 94014212
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 100751573
1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94015750
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 43928184
1-[(3-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylpropyl]piperidine-4-carboxamide
CID 92679179
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 46776268
1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
CID 46766819
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]piperidine-4-carboxamide
CID 100686841

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide (CID 46766881) is 1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide is CCC(NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is AANBERVWZWRWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3S/c1-3-22(18-7-9-21(10-8-18)30(2,28)29)25-23(27)19-11-13-26(14-12-19)16-17-5-4-6-20(24)15-17/h4-10,15,19,22H,3,11-14,16H2,1-2H3,(H,25,27).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 449.02 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 46766881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).