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

C16H21N5O — CID 129380525

IUPACN-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN2CCCC[C@H]2c2ncn[nH]2)cc1
InChIInChI=1S/C16H21N5O/c1-17-16(22)13-7-5-12(6-8-13)10-21-9-3-2-4-14(21)15-18-11-19-20-15/h5-8,11,14H,2-4,9-10H2,1H3,(H,17,22)(H,18,19,20)/t14-/m0/s1
InChIKeyAGGMHDXGLZADPB-AWEZNQCLSA-N
MW299.38 g/mol
LogP1.89
Rot. Bonds4

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

N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide (PubChem CID 129380525) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
PubChem CID129380525
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN2CCCC[C@H]2c2ncn[nH]2)cc1
InChIInChI=1S/C16H21N5O/c1-17-16(22)13-7-5-12(6-8-13)10-21-9-3-2-4-14(21)15-18-11-19-20-15/h5-8,11,14H,2-4,9-10H2,1H3,(H,17,22)(H,18,19,20)/t14-/m0/s1
InChIKeyAGGMHDXGLZADPB-AWEZNQCLSA-N
XLogP1.89
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
CID 129380488
4-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]-N-methylbenzamide
CID 86952073
N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 97253484
1-[(2,6-difluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
CID 128994066
4,5-dimethyl-2-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 129380483
N-(3-ethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 126799165
1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine
CID 128544416
3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129398428
N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 132971145
2-(1H-1,2,4-triazol-5-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 84599253
N-methyl-3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 128973937
4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30865174

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide?
The IUPAC name of N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide (CID 129380525) is N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide is CNC(=O)c1ccc(CN2CCCC[C@H]2c2ncn[nH]2)cc1.
What is the InChIKey of N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide?
The InChIKey is AGGMHDXGLZADPB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5O/c1-17-16(22)13-7-5-12(6-8-13)10-21-9-3-2-4-14(21)15-18-11-19-20-15/h5-8,11,14H,2-4,9-10H2,1H3,(H,17,22)(H,18,19,20)/t14-/m0/s1.
What are the key properties of N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide?
N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide has a molecular weight of 299.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 129380525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).