N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

C24H39N3O3S — CID 46772307

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C24H39N3O3S/c1-3-23-10-4-5-14-26(23)15-7-13-25-24(28)22-11-16-27(17-12-22)31(29,30)19-21-9-6-8-20(2)18-21/h6,8-9,18,22-23H,3-5,7,10-17,19H2,1-2H3,(H,25,28)
InChIKeyQFIUZVFPZKYXKH-UHFFFAOYSA-N
MW449.66 g/mol
LogP3.31
Rot. Bonds9

About N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 46772307) has the molecular formula C24H39N3O3S and a molecular weight of 449.66 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID46772307
Molecular FormulaC24H39N3O3S
Molecular Weight449.66 g/mol
Exact Mass449.27
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C24H39N3O3S/c1-3-23-10-4-5-14-26(23)15-7-13-25-24(28)22-11-16-27(17-12-22)31(29,30)19-21-9-6-8-20(2)18-21/h6,8-9,18,22-23H,3-5,7,10-17,19H2,1-2H3,(H,25,28)
InChIKeyQFIUZVFPZKYXKH-UHFFFAOYSA-N
XLogP3.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.66
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 92680805
1-[(3-methylphenyl)methylsulfonyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 99952977
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 99949522
1-[(2-chlorophenyl)methylsulfonyl]-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 92672052
1-[(3-chlorophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 99951535
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 92680331
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
1-[(2-chlorophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 46771864
1-[(3-methylphenyl)methylsulfonyl]-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]piperidine-4-carboxamide
CID 95880409
1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 91671442
1-ethylsulfonyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]piperidine-4-carboxamide
CID 55671400
1-benzylsulfonyl-N-[4-(4-methylpiperazin-1-yl)butyl]piperidine-4-carboxamide
CID 55691039

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (CID 46772307) is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is CCC1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is QFIUZVFPZKYXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3S/c1-3-23-10-4-5-14-26(23)15-7-13-25-24(28)22-11-16-27(17-12-22)31(29,30)19-21-9-6-8-20(2)18-21/h6,8-9,18,22-23H,3-5,7,10-17,19H2,1-2H3,(H,25,28).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 449.66 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 46772307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).