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

C19H26Cl2N2O3S — CID 28580447

IUPAC(3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)C1CCCC1
InChIInChI=1S/C19H26Cl2N2O3S/c1-22(17-6-2-3-7-17)19(24)14-5-4-10-23(12-14)27(25,26)13-15-8-9-16(20)11-18(15)21/h8-9,11,14,17H,2-7,10,12-13H2,1H3/t14-/m1/s1
InChIKeyAVYSTJZVVBOQHD-CQSZACIVSA-N
MW433.40 g/mol
LogP3.94
Rot. Bonds5

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

(3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide (PubChem CID 28580447) has the molecular formula C19H26Cl2N2O3S and a molecular weight of 433.40 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide
PubChem CID28580447
Molecular FormulaC19H26Cl2N2O3S
Molecular Weight433.40 g/mol
Exact Mass432.10
IUPAC Name(3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)C1CCCC1
InChIInChI=1S/C19H26Cl2N2O3S/c1-22(17-6-2-3-7-17)19(24)14-5-4-10-23(12-14)27(25,26)13-15-8-9-16(20)11-18(15)21/h8-9,11,14,17H,2-7,10,12-13H2,1H3/t14-/m1/s1
InChIKeyAVYSTJZVVBOQHD-CQSZACIVSA-N
XLogP3.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 51617060
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 53282722
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53282836
N-[2-(4-chlorophenoxy)ethyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 133164305
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 99130957
(3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92680091
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 125064514
(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 27245318
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 133164312
(3R)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 98054404
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 92672956
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(phenylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 98054531

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide (CID 28580447) is (3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide is CN(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)C1CCCC1.
What is the InChIKey of (3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is AVYSTJZVVBOQHD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26Cl2N2O3S/c1-22(17-6-2-3-7-17)19(24)14-5-4-10-23(12-14)27(25,26)13-15-8-9-16(20)11-18(15)21/h8-9,11,14,17H,2-7,10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide?
(3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 433.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 28580447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).