4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide

C16H21N5O — CID 110196463

IUPAC4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide
SMILESCc1nc(CC2CCN(C(=O)Nc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C16H21N5O/c1-12-17-15(20-19-12)11-13-7-9-21(10-8-13)16(22)18-14-5-3-2-4-6-14/h2-6,13H,7-11H2,1H3,(H,18,22)(H,17,19,20)
InChIKeyUYDQUMVLTIWOLU-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.60
Rot. Bonds3

About 4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide

4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 110196463) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide
PubChem CID110196463
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide
SMILESCc1nc(CC2CCN(C(=O)Nc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C16H21N5O/c1-12-17-15(20-19-12)11-13-7-9-21(10-8-13)16(22)18-14-5-3-2-4-6-14/h2-6,13H,7-11H2,1H3,(H,18,22)(H,17,19,20)
InChIKeyUYDQUMVLTIWOLU-UHFFFAOYSA-N
XLogP2.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 110196456
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-[3-(phenylcarbamoylamino)phenyl]piperazine-1-carboxamide
CID 154837217
4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide
CID 113086637
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
N-(3-chlorophenyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 163340304
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089
1-(4-benzylpiperidin-1-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 17455132
3-ethyl-4-hydroxy-N-phenylpiperidine-1-carboxamide
CID 114510061
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 92731331

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide (CID 110196463) is 4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide is Cc1nc(CC2CCN(C(=O)Nc3ccccc3)CC2)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is UYDQUMVLTIWOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-17-15(20-19-12)11-13-7-9-21(10-8-13)16(22)18-14-5-3-2-4-6-14/h2-6,13H,7-11H2,1H3,(H,18,22)(H,17,19,20).
What are the key properties of 4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide?
4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 110196463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).