3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide

C17H23N7O — CID 75502081

IUPAC3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide
SMILESCCc1ncc(NC(=O)N2CCCC(c3nncn3C3CC3)C2)cn1
InChIInChI=1S/C17H23N7O/c1-2-15-18-8-13(9-19-15)21-17(25)23-7-3-4-12(10-23)16-22-20-11-24(16)14-5-6-14/h8-9,11-12,14H,2-7,10H2,1H3,(H,21,25)
InChIKeyDFMGNQIZNPWNRP-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.38
Rot. Bonds4

About 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide

3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide (PubChem CID 75502081) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide
PubChem CID75502081
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide
SMILESCCc1ncc(NC(=O)N2CCCC(c3nncn3C3CC3)C2)cn1
InChIInChI=1S/C17H23N7O/c1-2-15-18-8-13(9-19-15)21-17(25)23-7-3-4-12(10-23)16-22-20-11-24(16)14-5-6-14/h8-9,11-12,14H,2-7,10H2,1H3,(H,21,25)
InChIKeyDFMGNQIZNPWNRP-UHFFFAOYSA-N
XLogP2.38
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide
CID 97349966
N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75476594
2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide
CID 71922454
(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-[(R)-methylsulfinyl]phenyl]piperidine-1-carboxamide
CID 97334567
[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone
CID 138044699
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 126758367
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97349988
N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75443272
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75400112
3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide
CID 91914758
3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide
CID 126772136
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide (CID 75502081) is 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide is CCc1ncc(NC(=O)N2CCCC(c3nncn3C3CC3)C2)cn1.
What is the InChIKey of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide?
The InChIKey is DFMGNQIZNPWNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-2-15-18-8-13(9-19-15)21-17(25)23-7-3-4-12(10-23)16-22-20-11-24(16)14-5-6-14/h8-9,11-12,14H,2-7,10H2,1H3,(H,21,25).
What are the key properties of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide?
3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75502081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).