(5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one

C16H20N4O — CID 97119507

IUPAC(5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one
SMILESCc1nc(CN2C[C@@](C)(c3ccccc3)CCC2=O)n[nH]1
InChIInChI=1S/C16H20N4O/c1-12-17-14(19-18-12)10-20-11-16(2,9-8-15(20)21)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,17,18,19)/t16-/m0/s1
InChIKeyLKTKBTILMDJTOT-INIZCTEOSA-N
MW284.36 g/mol
LogP2.19
Rot. Bonds3

About (5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one

(5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one (PubChem CID 97119507) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one
PubChem CID97119507
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one
SMILESCc1nc(CN2C[C@@](C)(c3ccccc3)CCC2=O)n[nH]1
InChIInChI=1S/C16H20N4O/c1-12-17-14(19-18-12)10-20-11-16(2,9-8-15(20)21)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,17,18,19)/t16-/m0/s1
InChIKeyLKTKBTILMDJTOT-INIZCTEOSA-N
XLogP2.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-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

Related Compounds

[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70687723
3-phenyl-N-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]butanamide
CID 90667234
3-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 44280878
1-[(3-benzyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylpiperazine
CID 50971775
1-isobutyl-4-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]pyrrolidin-2-one
CID 50973470
2-(2-Fluorophenyl)-1-[3-(5-methyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]ethan-1-one
CID 53192164
1-[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]-3-phenyl-1-propanone
CID 53192443
[4-(5-Cyclopropyl-4H-1,2,4-triazol-3-YL)piperidino](3-methylphenyl)methanone
CID 53562783
3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidine
CID 56874754
4-[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]-1-(4-methylbenzyl)-2-piperazinone
CID 70734986
1-(3,5-dimethylbenzyl)-4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-2-piperazinone
CID 70762139
2-{[4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-2,9-diazaspiro[5.5]undecan-3-one
CID 70784663

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one?
The IUPAC name of (5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one (CID 97119507) is (5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one.
What is the SMILES notation for (5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one?
The canonical SMILES for (5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one is Cc1nc(CN2C[C@@](C)(c3ccccc3)CCC2=O)n[nH]1.
What is the InChIKey of (5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one?
The InChIKey is LKTKBTILMDJTOT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-17-14(19-18-12)10-20-11-16(2,9-8-15(20)21)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,17,18,19)/t16-/m0/s1.
What are the key properties of (5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one?
(5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenylpiperidin-2-one is sourced from PubChem (CID 97119507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).