1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide

C11H18N4O3S — CID 54897264

IUPAC1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCc2cn[nH]c2)C1
InChIInChI=1S/C11H18N4O3S/c1-19(17,18)15-4-2-3-10(8-15)11(16)12-5-9-6-13-14-7-9/h6-7,10H,2-5,8H2,1H3,(H,12,16)(H,13,14)
InChIKeyNBWQTPZUUAZCLM-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.30
Rot. Bonds4

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

1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 54897264) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide
PubChem CID54897264
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCc2cn[nH]c2)C1
InChIInChI=1S/C11H18N4O3S/c1-19(17,18)15-4-2-3-10(8-15)11(16)12-5-9-6-13-14-7-9/h6-7,10H,2-5,8H2,1H3,(H,12,16)(H,13,14)
InChIKeyNBWQTPZUUAZCLM-UHFFFAOYSA-N
XLogP-0.30
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methanesulfonyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-YL]piperidine
CID 91910294
(3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 164631667
N'~3~-[(1-Ethyl-5-fluoro-1H-pyrazol-4-YL)methylene]-1-(methylsulfonyl)-3-piperidinecarbohydrazide
CID 119056024
(3R)-N-[(Z)-(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-3-carboxamide
CID 124848412
(3S)-N-[(Z)-(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-3-carboxamide
CID 124848413
N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylsulfonylpiperidine-3-carboxamide
CID 171131088
N-[(1-Ethyl-1H-pyrazol-4-YL)methyl]-1-(methylsulfonyl)-3-piperidinecarboxamide
CID 19583462
N~3~-[(1-Methyl-1H-pyrazol-4-YL)methyl]-1-(methylsulfonyl)-3-piperidinecarboxamide
CID 19583552
(3S)-N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 40446068
(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 40632463
1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide
CID 43540370
1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide
CID 43582278

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide (CID 54897264) is 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCc2cn[nH]c2)C1.
What is the InChIKey of 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is NBWQTPZUUAZCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-19(17,18)15-4-2-3-10(8-15)11(16)12-5-9-6-13-14-7-9/h6-7,10H,2-5,8H2,1H3,(H,12,16)(H,13,14).
What are the key properties of 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide?
1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 54897264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).