1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide

C13H22N4O3S — CID 19332404

IUPAC1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCCn2cccn2)CC1
InChIInChI=1S/C13H22N4O3S/c1-21(19,20)17-10-4-12(5-11-17)13(18)14-6-2-8-16-9-3-7-15-16/h3,7,9,12H,2,4-6,8,10-11H2,1H3,(H,14,18)
InChIKeyBAIJLOZISVXBAZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.06
Rot. Bonds6

About 1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide

1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 19332404) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
PubChem CID19332404
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCCn2cccn2)CC1
InChIInChI=1S/C13H22N4O3S/c1-21(19,20)17-10-4-12(5-11-17)13(18)14-6-2-8-16-9-3-7-15-16/h3,7,9,12H,2,4-6,8,10-11H2,1H3,(H,14,18)
InChIKeyBAIJLOZISVXBAZ-UHFFFAOYSA-N
XLogP0.06
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 47165617
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111904643
2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 25453592
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide
CID 122292675
N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 170709380
ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide
CID 170709349
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 38464944
(1S,3R,4R)-3-amino-4-methoxy-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide
CID 155508081
1-methylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide
CID 3653413
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119856

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide (CID 19332404) is 1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCCCn2cccn2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is BAIJLOZISVXBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-21(19,20)17-10-4-12(5-11-17)13(18)14-6-2-8-16-9-3-7-15-16/h3,7,9,12H,2,4-6,8,10-11H2,1H3,(H,14,18).
What are the key properties of 1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 19332404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).