1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide

C22H26Cl2N2O3S — CID 133164298

IUPAC1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C22H26Cl2N2O3S/c1-16(18-5-3-2-4-6-18)14-25-22(27)19-9-11-26(12-10-19)30(28,29)15-17-7-8-20(23)21(24)13-17/h2-8,13,16,19H,9-12,14-15H2,1H3,(H,25,27)
InChIKeySPBVGSHGJWFTRK-UHFFFAOYSA-N
MW469.43 g/mol
LogP4.46
Rot. Bonds7

About 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide

1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide (PubChem CID 133164298) has the molecular formula C22H26Cl2N2O3S and a molecular weight of 469.43 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
PubChem CID133164298
Molecular FormulaC22H26Cl2N2O3S
Molecular Weight469.43 g/mol
Exact Mass468.10
IUPAC Name1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C22H26Cl2N2O3S/c1-16(18-5-3-2-4-6-18)14-25-22(27)19-9-11-26(12-10-19)30(28,29)15-17-7-8-20(23)21(24)13-17/h2-8,13,16,19H,9-12,14-15H2,1H3,(H,25,27)
InChIKeySPBVGSHGJWFTRK-UHFFFAOYSA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 133201697
1-[(4-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802401
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 92680331
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 28567688
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 43916436
N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085590
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 92680042
1-[(2-chlorophenyl)methylsulfonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43909904
1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
CID 99115120
1-[(3-chlorophenyl)methylsulfonyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide
CID 43885252
1-benzylsulfonyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]piperidine-4-carboxamide
CID 55783485
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802369

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide (CID 133164298) is 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide is CC(CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is SPBVGSHGJWFTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O3S/c1-16(18-5-3-2-4-6-18)14-25-22(27)19-9-11-26(12-10-19)30(28,29)15-17-7-8-20(23)21(24)13-17/h2-8,13,16,19H,9-12,14-15H2,1H3,(H,25,27).
What are the key properties of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide?
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 469.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 133164298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).