6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C18H23N5O2 — CID 136563551

IUPAC6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1nc(C)n(C2CCCN(C(=O)c3ccc(C4CC4)[nH]c3=O)C2)n1
InChIInChI=1S/C18H23N5O2/c1-11-19-12(2)23(21-11)14-4-3-9-22(10-14)18(25)15-7-8-16(13-5-6-13)20-17(15)24/h7-8,13-14H,3-6,9-10H2,1-2H3,(H,20,24)
InChIKeyZIHBFPSNWNIZTQ-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.94
Rot. Bonds3

About 6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 136563551) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID136563551
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1nc(C)n(C2CCCN(C(=O)c3ccc(C4CC4)[nH]c3=O)C2)n1
InChIInChI=1S/C18H23N5O2/c1-11-19-12(2)23(21-11)14-4-3-9-22(10-14)18(25)15-7-8-16(13-5-6-13)20-17(15)24/h7-8,13-14H,3-6,9-10H2,1-2H3,(H,20,24)
InChIKeyZIHBFPSNWNIZTQ-UHFFFAOYSA-N
XLogP1.94
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 95737277
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95737135
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 95736860
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95737115
6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563629
6-cyclopropyl-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563424
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95737221
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95737222
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 95736821
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95737234
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 95737072
3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-N-methylbenzamide
CID 95777623

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 136563551) is 6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1nc(C)n(C2CCCN(C(=O)c3ccc(C4CC4)[nH]c3=O)C2)n1.
What is the InChIKey of 6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is ZIHBFPSNWNIZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-19-12(2)23(21-11)14-4-3-9-22(10-14)18(25)15-7-8-16(13-5-6-13)20-17(15)24/h7-8,13-14H,3-6,9-10H2,1-2H3,(H,20,24).
What are the key properties of 6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 341.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 136563551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).