(2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C15H27N5O2 — CID 137216218

IUPAC(2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCC(C)CC[C@H](C)NC(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1
InChIInChI=1S/C15H27N5O2/c1-10(2)7-8-11(3)16-15(22)20-9-5-4-6-12(20)13-17-14(21)19-18-13/h10-12H,4-9H2,1-3H3,(H,16,22)(H2,17,18,19,21)/t11-,12+/m0/s1
InChIKeyWGUJDNJGPGLNBJ-NWDGAFQWSA-N
MW309.41 g/mol
LogP2.16
Rot. Bonds5

About (2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide

(2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 137216218) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID137216218
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name(2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCC(C)CC[C@H](C)NC(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1
InChIInChI=1S/C15H27N5O2/c1-10(2)7-8-11(3)16-15(22)20-9-5-4-6-12(20)13-17-14(21)19-18-13/h10-12H,4-9H2,1-3H3,(H,16,22)(H2,17,18,19,21)/t11-,12+/m0/s1
InChIKeyWGUJDNJGPGLNBJ-NWDGAFQWSA-N
XLogP2.16
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137204940
3-[1-(5-acetylthiophene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136548261
N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 136556101
(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124560581
1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63925924
3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137242367
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide
CID 110194772
3-[(2S)-1-(3-chloro-5-methoxybenzoyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137175365
3-[(2S)-1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137242413
4-chloro-3-[(2S)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzonitrile
CID 137175372
3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137208112
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 137216218) is (2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide is CC(C)CC[C@H](C)NC(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1.
What is the InChIKey of (2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is WGUJDNJGPGLNBJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-10(2)7-8-11(3)16-15(22)20-9-5-4-6-12(20)13-17-14(21)19-18-13/h10-12H,4-9H2,1-3H3,(H,16,22)(H2,17,18,19,21)/t11-,12+/m0/s1.
What are the key properties of (2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
(2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 137216218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).