N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

C25H33N3O5S — CID 92642478

IUPACN-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C25H33N3O5S/c1-19-8-10-20(11-9-19)18-34(31,32)28-15-12-21(13-16-28)24(29)27-23-7-4-3-6-22(23)25(30)26-14-5-17-33-2/h3-4,6-11,21H,5,12-18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyXDIQLMQSMQCFKC-UHFFFAOYSA-N
MW487.62 g/mol
LogP2.94
Rot. Bonds10

About N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 92642478) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID92642478
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C25H33N3O5S/c1-19-8-10-20(11-9-19)18-34(31,32)28-15-12-21(13-16-28)24(29)27-23-7-4-3-6-22(23)25(30)26-14-5-17-33-2/h3-4,6-11,21H,5,12-18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyXDIQLMQSMQCFKC-UHFFFAOYSA-N
XLogP2.94
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 92642602
(3S)-1-ethylsulfonyl-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 125042744
N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 99960058
1-ethylsulfonyl-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132660688
1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 30388912
N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
CID 110335470
1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 55685731
1-[(4-bromophenyl)methylsulfonyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 53283935
N-[2-(butylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100651538
1-[(4-bromophenyl)methylsulfonyl]-N-[3-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 46764106
1-(benzenesulfonyl)-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 31288840
N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 132657722

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (CID 92642478) is N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is COCCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1.
What is the InChIKey of N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is XDIQLMQSMQCFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-19-8-10-20(11-9-19)18-34(31,32)28-15-12-21(13-16-28)24(29)27-23-7-4-3-6-22(23)25(30)26-14-5-17-33-2/h3-4,6-11,21H,5,12-18H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 487.62 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 92642478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).