(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

C22H26Cl2N2O4S — CID 30379450

IUPAC(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C22H26Cl2N2O4S/c1-25(13-17-6-3-4-8-21(17)30-2)22(27)18-7-5-11-26(14-18)31(28,29)15-16-9-10-19(23)20(24)12-16/h3-4,6,8-10,12,18H,5,7,11,13-15H2,1-2H3/t18-/m1/s1
InChIKeyGPQHQNGQLGXAIJ-GOSISDBHSA-N
MW485.43 g/mol
LogP4.20
Rot. Bonds7

About (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 30379450) has the molecular formula C22H26Cl2N2O4S and a molecular weight of 485.43 g/mol. Its IUPAC name is (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID30379450
Molecular FormulaC22H26Cl2N2O4S
Molecular Weight485.43 g/mol
Exact Mass484.10
IUPAC Name(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C22H26Cl2N2O4S/c1-25(13-17-6-3-4-8-21(17)30-2)22(27)18-7-5-11-26(14-18)31(28,29)15-16-9-10-19(23)20(24)12-16/h3-4,6,8-10,12,18H,5,7,11,13-15H2,1-2H3/t18-/m1/s1
InChIKeyGPQHQNGQLGXAIJ-GOSISDBHSA-N
XLogP4.20
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 132762136
N-[2-(2-chlorophenoxy)ethyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 133164333
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 28579799
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27824459
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675556
(3R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675555
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490719
(3R)-1-benzylsulfonyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 92641388
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(R)-(2-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 94864635
(3S)-N-[(2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 125047791
(3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 126397995
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56581953

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 30379450) is (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is COc1ccccc1CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is GPQHQNGQLGXAIJ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26Cl2N2O4S/c1-25(13-17-6-3-4-8-21(17)30-2)22(27)18-7-5-11-26(14-18)31(28,29)15-16-9-10-19(23)20(24)12-16/h3-4,6,8-10,12,18H,5,7,11,13-15H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 485.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 30379450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).