6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C18H23N5O2 — CID 136563629

IUPAC6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCn1cnnc1C1CCCN(C(=O)c2ccc(C3CC3)[nH]c2=O)C1
InChIInChI=1S/C18H23N5O2/c1-2-22-11-19-21-16(22)13-4-3-9-23(10-13)18(25)14-7-8-15(12-5-6-12)20-17(14)24/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,24)
InChIKeyVIGCZFXJEOKXBL-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.88
Rot. Bonds4

About 6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 136563629) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID136563629
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCn1cnnc1C1CCCN(C(=O)c2ccc(C3CC3)[nH]c2=O)C1
InChIInChI=1S/C18H23N5O2/c1-2-22-11-19-21-16(22)13-4-3-9-23(10-13)18(25)14-7-8-15(12-5-6-12)20-17(14)24/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,24)
InChIKeyVIGCZFXJEOKXBL-UHFFFAOYSA-N
XLogP1.88
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192735
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 97276988
6-cyclopropyl-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563424
6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563551
2-[[4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione
CID 86935419
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538179
(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-[(R)-methylsulfinyl]phenyl]piperidine-1-carboxamide
CID 97334567
N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75443272
3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one
CID 86935421
1-[(3R)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,2-difluoro-2-(3-methyl-2-pyridinyl)ethanone
CID 124627547
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97349988
2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 126781661

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 136563629) is 6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is CCn1cnnc1C1CCCN(C(=O)c2ccc(C3CC3)[nH]c2=O)C1.
What is the InChIKey of 6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is VIGCZFXJEOKXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-22-11-19-21-16(22)13-4-3-9-23(10-13)18(25)14-7-8-15(12-5-6-12)20-17(14)24/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,24).
What are the key properties of 6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 341.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 136563629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).