(3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide

C17H27N7O — CID 124608677

IUPAC(3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC[C@H](n2cncn2)C1
InChIInChI=1S/C17H27N7O/c1-12(8-16-13(2)21-22(4)14(16)3)20-17(25)23-7-5-6-15(9-23)24-11-18-10-19-24/h10-12,15H,5-9H2,1-4H3,(H,20,25)/t12-,15-/m0/s1
InChIKeyLCZIBXZVHUDSBP-WFASDCNBSA-N
MW345.45 g/mol
LogP1.61
Rot. Bonds4

About (3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide

(3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 124608677) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is (3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide
PubChem CID124608677
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name(3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC[C@H](n2cncn2)C1
InChIInChI=1S/C17H27N7O/c1-12(8-16-13(2)21-22(4)14(16)3)20-17(25)23-7-5-6-15(9-23)24-11-18-10-19-24/h10-12,15H,5-9H2,1-4H3,(H,20,25)/t12-,15-/m0/s1
InChIKeyLCZIBXZVHUDSBP-WFASDCNBSA-N
XLogP1.61
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736411
(2S)-2-(hydroxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 111508000
(2R)-2-(hydroxymethyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 95967699
(3S,4S)-4-(trifluoromethyl)-1-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122003767
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95761478
3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 136537601
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95289375
(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124617527
2-(2-methylpropylsulfonyl)-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736565
(3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide
CID 124621080
(2,5-dimethylthiophen-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 86768302
(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124590792

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide (CID 124608677) is (3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide is Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC[C@H](n2cncn2)C1.
What is the InChIKey of (3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is LCZIBXZVHUDSBP-WFASDCNBSA-N. The full InChI is InChI=1S/C17H27N7O/c1-12(8-16-13(2)21-22(4)14(16)3)20-17(25)23-7-5-6-15(9-23)24-11-18-10-19-24/h10-12,15H,5-9H2,1-4H3,(H,20,25)/t12-,15-/m0/s1.
What are the key properties of (3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide?
(3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 124608677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).