(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide

C16H22N6O — CID 97089224

IUPAC(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@@H](c2nncn2C)C1)c1cccnc1
InChIInChI=1S/C16H22N6O/c1-12(13-5-3-7-17-9-13)19-16(23)22-8-4-6-14(10-22)15-20-18-11-21(15)2/h3,5,7,9,11-12,14H,4,6,8,10H2,1-2H3,(H,19,23)/t12-,14+/m0/s1
InChIKeyNIXXXGFIFWDUBT-GXTWGEPZSA-N
MW314.39 g/mol
LogP1.86
Rot. Bonds3

About (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide

(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide (PubChem CID 97089224) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide
PubChem CID97089224
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@@H](c2nncn2C)C1)c1cccnc1
InChIInChI=1S/C16H22N6O/c1-12(13-5-3-7-17-9-13)19-16(23)22-8-4-6-14(10-22)15-20-18-11-21(15)2/h3,5,7,9,11-12,14H,4,6,8,10H2,1-2H3,(H,19,23)/t12-,14+/m0/s1
InChIKeyNIXXXGFIFWDUBT-GXTWGEPZSA-N
XLogP1.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 3922884
4-(2-Fluorophenyl)-12-(pyridin-3-ylmethyl)-3,5,6,8,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 136035276
1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 3934876
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-yl)pyrimidin-4-yl]acetamide
CID 25138074
N-cyclopentyl-2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))acetamide
CID 1154997
2-(4-Butyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-cyclopropyl-acetamide
CID 3212533
N-cyclohexyl-2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 647373
2-(4-Cyclohexyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-cyclopentyl-acetamide
CID 653543
1-(3-Methylpiperidin-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 3214607
1-(5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)-3-methylbutan-1-one
CID 3476108
1-[5-(Benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 4686951

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide (CID 97089224) is (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC[C@@H](c2nncn2C)C1)c1cccnc1.
What is the InChIKey of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide?
The InChIKey is NIXXXGFIFWDUBT-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12(13-5-3-7-17-9-13)19-16(23)22-8-4-6-14(10-22)15-20-18-11-21(15)2/h3,5,7,9,11-12,14H,4,6,8,10H2,1-2H3,(H,19,23)/t12-,14+/m0/s1.
What are the key properties of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide?
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 97089224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).