1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

C17H28N4O4S — CID 136546772

IUPAC1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCC(C)n1cc(S(=O)(=O)NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)cn1
InChIInChI=1S/C17H28N4O4S/c1-12(2)21-11-14(9-18-21)26(24,25)19-15(22)13-7-6-8-20(10-13)16(23)17(3,4)5/h9,11-13H,6-8,10H2,1-5H3,(H,19,22)
InChIKeyPUTJWVVRFDCTFJ-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.55
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 136546772) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID136546772
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCC(C)n1cc(S(=O)(=O)NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)cn1
InChIInChI=1S/C17H28N4O4S/c1-12(2)21-11-14(9-18-21)26(24,25)19-15(22)13-7-6-8-20(10-13)16(23)17(3,4)5/h9,11-13H,6-8,10H2,1-5H3,(H,19,22)
InChIKeyPUTJWVVRFDCTFJ-UHFFFAOYSA-N
XLogP1.55
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 47986994
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 94798800
(3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95311721
(2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 95738790
N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119479204
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 136546772) is 1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is CC(C)n1cc(S(=O)(=O)NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)cn1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is PUTJWVVRFDCTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-12(2)21-11-14(9-18-21)26(24,25)19-15(22)13-7-6-8-20(10-13)16(23)17(3,4)5/h9,11-13H,6-8,10H2,1-5H3,(H,19,22).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 136546772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).