N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide

C13H22N4O3S — CID 4776890

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)nn1C
InChIInChI=1S/C13H22N4O3S/c1-10-7-12(15-16(10)2)8-14-13(18)11-5-4-6-17(9-11)21(3,19)20/h7,11H,4-6,8-9H2,1-3H3,(H,14,18)
InChIKeyZOHVLVHYKDBWKM-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.02
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 4776890) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID4776890
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)nn1C
InChIInChI=1S/C13H22N4O3S/c1-10-7-12(15-16(10)2)8-14-13(18)11-5-4-6-17(9-11)21(3,19)20/h7,11H,4-6,8-9H2,1-3H3,(H,14,18)
InChIKeyZOHVLVHYKDBWKM-UHFFFAOYSA-N
XLogP0.02
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3242642
(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 51388637
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126828401
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclohexanecarboxamide
CID 70732727
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 28550165
methyl 2-methyl-5-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 55612623
1-methylsulfonyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133190377
(3S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118696
(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 39854859
(3S)-N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 27026398
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 7030681

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 4776890) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is Cc1cc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)nn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is ZOHVLVHYKDBWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-10-7-12(15-16(10)2)8-14-13(18)11-5-4-6-17(9-11)21(3,19)20/h7,11H,4-6,8-9H2,1-3H3,(H,14,18).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4776890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).