(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

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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).