N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide

C15H25N5O4S — CID 155872749

IUPACN-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2ccn(C)n2)CCN(C(=O)CCS(C)(=O)=O)CC1
InChIInChI=1S/C15H25N5O4S/c1-16-14(22)15(17-12-4-8-19(2)18-12)6-9-20(10-7-15)13(21)5-11-25(3,23)24/h4,8H,5-7,9-11H2,1-3H3,(H,16,22)(H,17,18)
InChIKeyIIGGRYBTHJJHMO-UHFFFAOYSA-N
MW371.46 g/mol
LogP-0.63
Rot. Bonds6

About N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide

N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide (PubChem CID 155872749) has the molecular formula C15H25N5O4S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
PubChem CID155872749
Molecular FormulaC15H25N5O4S
Molecular Weight371.46 g/mol
Exact Mass371.16
IUPAC NameN-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2ccn(C)n2)CCN(C(=O)CCS(C)(=O)=O)CC1
InChIInChI=1S/C15H25N5O4S/c1-16-14(22)15(17-12-4-8-19(2)18-12)6-9-20(10-7-15)13(21)5-11-25(3,23)24/h4,8H,5-7,9-11H2,1-3H3,(H,16,22)(H,17,18)
InChIKeyIIGGRYBTHJJHMO-UHFFFAOYSA-N
XLogP-0.63
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxamide
CID 155873523
4-(3-fluoroanilino)-N-methyl-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155871376
N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878996
1-(5,6-dimethylpyrimidine-4-carbonyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878559
N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 155875641
N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide
CID 155870922
1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872962
1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155879839
formic acid;N-(1-methylpyrazol-3-yl)-1-(2-methylsulfonylacetyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873780
1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872456
1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878649
[1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 155871243

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide (CID 155872749) is N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide is CNC(=O)C1(Nc2ccn(C)n2)CCN(C(=O)CCS(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide?
The InChIKey is IIGGRYBTHJJHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O4S/c1-16-14(22)15(17-12-4-8-19(2)18-12)6-9-20(10-7-15)13(21)5-11-25(3,23)24/h4,8H,5-7,9-11H2,1-3H3,(H,16,22)(H,17,18).
What are the key properties of N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide?
N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 155872749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).