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

C24H26Cl2N4O3S — CID 43908416

IUPAC1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)C2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C24H26Cl2N4O3S/c1-17-27-10-12-30(17)22-8-4-18(5-9-22)14-28-24(31)19-3-2-11-29(15-19)34(32,33)16-20-6-7-21(25)13-23(20)26/h4-10,12-13,19H,2-3,11,14-16H2,1H3,(H,28,31)
InChIKeyNJDZAFIPYHNNIV-UHFFFAOYSA-N
MW521.47 g/mol
LogP4.35
Rot. Bonds7

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

1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 43908416) has the molecular formula C24H26Cl2N4O3S and a molecular weight of 521.47 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID43908416
Molecular FormulaC24H26Cl2N4O3S
Molecular Weight521.47 g/mol
Exact Mass520.11
IUPAC Name1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)C2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C24H26Cl2N4O3S/c1-17-27-10-12-30(17)22-8-4-18(5-9-22)14-28-24(31)19-3-2-11-29(15-19)34(32,33)16-20-6-7-21(25)13-23(20)26/h4-10,12-13,19H,2-3,11,14-16H2,1H3,(H,28,31)
InChIKeyNJDZAFIPYHNNIV-UHFFFAOYSA-N
XLogP4.35
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethylsulfonyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 50945213
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53282836
(3S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118696
(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 27245318
1-(4-fluorophenyl)sulfonyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 133168237
1-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 50874520
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133189340
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 99957515
1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
CID 92674136
N-[2-(4-chlorophenoxy)ethyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 133164305
1-[(4-bromophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 43915483
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642351

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide (CID 43908416) is 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide is Cc1nccn1-c1ccc(CNC(=O)C2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is NJDZAFIPYHNNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O3S/c1-17-27-10-12-30(17)22-8-4-18(5-9-22)14-28-24(31)19-3-2-11-29(15-19)34(32,33)16-20-6-7-21(25)13-23(20)26/h4-10,12-13,19H,2-3,11,14-16H2,1H3,(H,28,31).
What are the key properties of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide?
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 521.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43908416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).