1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

C24H29Cl2N3O3S — CID 43922106

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H29Cl2N3O3S/c25-22-9-4-18(16-23(22)26)17-28-14-10-19(11-15-28)24(30)27-20-5-7-21(8-6-20)33(31,32)29-12-2-1-3-13-29/h4-9,16,19H,1-3,10-15,17H2,(H,27,30)
InChIKeyAPIHFRZXMHRMIW-UHFFFAOYSA-N
MW510.49 g/mol
LogP5.02
Rot. Bonds6

About 1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 43922106) has the molecular formula C24H29Cl2N3O3S and a molecular weight of 510.49 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID43922106
Molecular FormulaC24H29Cl2N3O3S
Molecular Weight510.49 g/mol
Exact Mass509.13
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H29Cl2N3O3S/c25-22-9-4-18(16-23(22)26)17-28-14-10-19(11-15-28)24(30)27-20-5-7-21(8-6-20)33(31,32)29-12-2-1-3-13-29/h4-9,16,19H,1-3,10-15,17H2,(H,27,30)
InChIKeyAPIHFRZXMHRMIW-UHFFFAOYSA-N
XLogP5.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925168
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100686065
N-(4-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 38105132
2-(3,4-dichlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2425143
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
CID 31962865
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 100684880
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925169
1-[(4-bromophenyl)methylsulfonyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43885234
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 126320858

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (CID 43922106) is 1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is APIHFRZXMHRMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O3S/c25-22-9-4-18(16-23(22)26)17-28-14-10-19(11-15-28)24(30)27-20-5-7-21(8-6-20)33(31,32)29-12-2-1-3-13-29/h4-9,16,19H,1-3,10-15,17H2,(H,27,30).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 510.49 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 43922106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).