1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide

C23H28Cl2N2O4S — CID 53283326

IUPAC1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C23H28Cl2N2O4S/c1-16(2)31-21-7-3-17(4-8-21)14-26-23(28)18-9-11-27(12-10-18)32(29,30)15-19-5-6-20(24)13-22(19)25/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,26,28)
InChIKeyIGEVKESOYZROBI-UHFFFAOYSA-N
MW499.46 g/mol
LogP4.64
Rot. Bonds8

About 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide

1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 53283326) has the molecular formula C23H28Cl2N2O4S and a molecular weight of 499.46 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID53283326
Molecular FormulaC23H28Cl2N2O4S
Molecular Weight499.46 g/mol
Exact Mass498.11
IUPAC Name1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C23H28Cl2N2O4S/c1-16(2)31-21-7-3-17(4-8-21)14-26-23(28)18-9-11-27(12-10-18)32(29,30)15-19-5-6-20(24)13-22(19)25/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,26,28)
InChIKeyIGEVKESOYZROBI-UHFFFAOYSA-N
XLogP4.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53283175
N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55588225
N-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 44591952
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53282836
1-[(4-fluorophenyl)methylsulfonyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 38006078
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 92673376
1-[(2-chlorophenyl)methylsulfonyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 99958010
1-[(2-chlorophenyl)methylsulfonyl]-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 53283399
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92676575
1-[(4-fluorophenyl)methylsulfonyl]-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 38006975
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 43908416

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide (CID 53283326) is 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide is CC(C)Oc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is IGEVKESOYZROBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O4S/c1-16(2)31-21-7-3-17(4-8-21)14-26-23(28)18-9-11-27(12-10-18)32(29,30)15-19-5-6-20(24)13-22(19)25/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,26,28).
What are the key properties of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide?
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 499.46 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53283326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).