4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one

C16H21N5O2 — CID 124627751

IUPAC4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESCc1ccn(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)c(=O)c1
InChIInChI=1S/C16H21N5O2/c1-13-4-6-20(15(22)7-13)10-16(23)19-5-2-3-14(8-19)9-21-12-17-11-18-21/h4,6-7,11-12,14H,2-3,5,8-10H2,1H3/t14-/m1/s1
InChIKeyWJLANVHBTVFLPV-CQSZACIVSA-N
MW315.38 g/mol
LogP0.69
Rot. Bonds4

About 4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one

4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 124627751) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one
PubChem CID124627751
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESCc1ccn(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)c(=O)c1
InChIInChI=1S/C16H21N5O2/c1-13-4-6-20(15(22)7-13)10-16(23)19-5-2-3-14(8-19)9-21-12-17-11-18-21/h4,6-7,11-12,14H,2-3,5,8-10H2,1H3/t14-/m1/s1
InChIKeyWJLANVHBTVFLPV-CQSZACIVSA-N
XLogP0.69
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one (CID 124627751) is 4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one is Cc1ccn(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)c(=O)c1.
What is the InChIKey of 4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is WJLANVHBTVFLPV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-13-4-6-20(15(22)7-13)10-16(23)19-5-2-3-14(8-19)9-21-12-17-11-18-21/h4,6-7,11-12,14H,2-3,5,8-10H2,1H3/t14-/m1/s1.
What are the key properties of 4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one?
4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 315.38 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-oxo-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 124627751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).