(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

C23H25Cl2N3O4S — CID 28633861

IUPAC(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C23H25Cl2N3O4S/c24-18-6-5-17(21(25)13-18)15-33(31,32)27-11-1-3-16(14-27)23(30)26-19-7-9-20(10-8-19)28-12-2-4-22(28)29/h5-10,13,16H,1-4,11-12,14-15H2,(H,26,30)/t16-/m1/s1
InChIKeyYRQZACHZMNCVRD-MRXNPFEDSA-N
MW510.44 g/mol
LogP4.30
Rot. Bonds6

About (3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 28633861) has the molecular formula C23H25Cl2N3O4S and a molecular weight of 510.44 g/mol. Its IUPAC name is (3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID28633861
Molecular FormulaC23H25Cl2N3O4S
Molecular Weight510.44 g/mol
Exact Mass509.09
IUPAC Name(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C23H25Cl2N3O4S/c24-18-6-5-17(21(25)13-18)15-33(31,32)27-11-1-3-16(14-27)23(30)26-19-7-9-20(10-8-19)28-12-2-4-22(28)29/h5-10,13,16H,1-4,11-12,14-15H2,(H,26,30)/t16-/m1/s1
InChIKeyYRQZACHZMNCVRD-MRXNPFEDSA-N
XLogP4.30
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(phenylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 98054531
(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 94864234
(3R)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 94862217
(3R)-N-(4-chlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641424
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 100507734
(3R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41024996
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53282836
1-(5-methylthiophen-2-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 24641470
(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 100504416
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 125064514
N-[2-(4-chlorophenoxy)ethyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 133164305
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 92672956

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (CID 28633861) is (3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is YRQZACHZMNCVRD-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25Cl2N3O4S/c24-18-6-5-17(21(25)13-18)15-33(31,32)27-11-1-3-16(14-27)23(30)26-19-7-9-20(10-8-19)28-12-2-4-22(28)29/h5-10,13,16H,1-4,11-12,14-15H2,(H,26,30)/t16-/m1/s1.
What are the key properties of (3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 510.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 28633861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).