(3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide

C17H21N5O2 — CID 95584926

IUPAC(3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide
SMILESCc1c(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)nnn1-c1ccccc1
InChIInChI=1S/C17H21N5O2/c1-11-8-9-13(16(18)23)10-21(11)17(24)15-12(2)22(20-19-15)14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3,(H2,18,23)/t11-,13+/m0/s1
InChIKeyHJLMTHASASYALN-WCQYABFASA-N
MW327.39 g/mol
LogP1.30
Rot. Bonds3

About (3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide

(3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 95584926) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID95584926
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide
SMILESCc1c(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)nnn1-c1ccccc1
InChIInChI=1S/C17H21N5O2/c1-11-8-9-13(16(18)23)10-21(11)17(24)15-12(2)22(20-19-15)14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3,(H2,18,23)/t11-,13+/m0/s1
InChIKeyHJLMTHASASYALN-WCQYABFASA-N
XLogP1.30
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide 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

6-methyl-1-[5-methyl-1-(3-nitrophenyl)triazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122114139
1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide
CID 119125999
(3R,6R)-6-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 94666110
(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 95290424
(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide
CID 95151470
(3R,6R)-6-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 95585010
1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide
CID 63659184
1-(2-anilinoacetyl)-6-methylpiperidine-3-carboxamide
CID 60963532
(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697850
(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585543
(3S,6S)-6-methyl-1-[2-(2-phenyltriazol-4-yl)acetyl]piperidine-3-carboxamide
CID 95151645
(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95161082

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide (CID 95584926) is (3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide is Cc1c(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)nnn1-c1ccccc1.
What is the InChIKey of (3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is HJLMTHASASYALN-WCQYABFASA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-8-9-13(16(18)23)10-21(11)17(24)15-12(2)22(20-19-15)14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3,(H2,18,23)/t11-,13+/m0/s1.
What are the key properties of (3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide?
(3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 95584926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).