N-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide

C13H22N4O3S — CID 72847015

IUPACN-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NC1CCN(S(C)(=O)=O)CC1)n1cccn1
InChIInChI=1S/C13H22N4O3S/c1-3-12(17-8-4-7-14-17)13(18)15-11-5-9-16(10-6-11)21(2,19)20/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H,15,18)
InChIKeyNWYPAIIEMMTHDI-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.37
Rot. Bonds5

About N-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide

N-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide (PubChem CID 72847015) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide
PubChem CID72847015
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NC1CCN(S(C)(=O)=O)CC1)n1cccn1
InChIInChI=1S/C13H22N4O3S/c1-3-12(17-8-4-7-14-17)13(18)15-11-5-9-16(10-6-11)21(2,19)20/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H,15,18)
InChIKeyNWYPAIIEMMTHDI-UHFFFAOYSA-N
XLogP0.37
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
1-(4-Methylsulfonylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 45802473
4-(methanesulfonamido)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 53503263
N-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]methanesulfonamide
CID 53515622
N-(1-ethylpiperidin-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 53556864
N-[3-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 53566932
N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53590070
N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53618683
N-{1-[2-methyl-3-(1H-pyrazol-1-yl)propanoyl]-4-piperidinyl}methanesulfonamide
CID 70773667
4-[2-(1H-pyrazol-1-yl)butanoyl]thiomorpholine 1,1-dioxide
CID 72847493
1-[2-(1H-pyrazol-1-yl)butanoyl]-4-(1-pyrrolidinylsulfonyl)piperazine
CID 72848912
N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide
CID 39723150

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide (CID 72847015) is N-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide is CCC(C(=O)NC1CCN(S(C)(=O)=O)CC1)n1cccn1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide?
The InChIKey is NWYPAIIEMMTHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-12(17-8-4-7-14-17)13(18)15-11-5-9-16(10-6-11)21(2,19)20/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H,15,18).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide?
N-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide has a molecular weight of 314.41 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 72847015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).