4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide

C15H19N5O — CID 129380488

IUPAC4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCCC[C@@H]2c2ncn[nH]2)cc1
InChIInChI=1S/C15H19N5O/c16-14(21)12-6-4-11(5-7-12)9-20-8-2-1-3-13(20)15-17-10-18-19-15/h4-7,10,13H,1-3,8-9H2,(H2,16,21)(H,17,18,19)/t13-/m1/s1
InChIKeyACPLJAYEGNWBEJ-CYBMUJFWSA-N
MW285.35 g/mol
LogP1.63
Rot. Bonds4

About 4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide

4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide (PubChem CID 129380488) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
PubChem CID129380488
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCCC[C@@H]2c2ncn[nH]2)cc1
InChIInChI=1S/C15H19N5O/c16-14(21)12-6-4-11(5-7-12)9-20-8-2-1-3-13(20)15-17-10-18-19-15/h4-7,10,13H,1-3,8-9H2,(H2,16,21)(H,17,18,19)/t13-/m1/s1
InChIKeyACPLJAYEGNWBEJ-CYBMUJFWSA-N
XLogP1.63
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
CID 129380525
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
CID 51476383
1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
CID 128994066
3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 126787531
N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 126799165
2-(1H-1,2,4-triazol-5-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 84599253
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63249745
4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 17455487
1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
CID 128544416
N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 97253484
4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
CID 94026641

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide (CID 129380488) is 4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCCC[C@@H]2c2ncn[nH]2)cc1.
What is the InChIKey of 4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide?
The InChIKey is ACPLJAYEGNWBEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5O/c16-14(21)12-6-4-11(5-7-12)9-20-8-2-1-3-13(20)15-17-10-18-19-15/h4-7,10,13H,1-3,8-9H2,(H2,16,21)(H,17,18,19)/t13-/m1/s1.
What are the key properties of 4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide?
4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide has a molecular weight of 285.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 129380488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).