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

C16H21N5O — CID 95323908

IUPAC4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCCC[C@@H]2Cn2cncn2)cc1
InChIInChI=1S/C16H21N5O/c17-16(22)14-6-4-13(5-7-14)9-20-8-2-1-3-15(20)10-21-12-18-11-19-21/h4-7,11-12,15H,1-3,8-10H2,(H2,17,22)/t15-/m1/s1
InChIKeyHPPANHSIAKDJGE-OAHLLOKOSA-N
MW299.38 g/mol
LogP1.43
Rot. Bonds5

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

4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide (PubChem CID 95323908) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide
PubChem CID95323908
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCCC[C@@H]2Cn2cncn2)cc1
InChIInChI=1S/C16H21N5O/c17-16(22)14-6-4-13(5-7-14)9-20-8-2-1-3-15(20)10-21-12-18-11-19-21/h4-7,11-12,15H,1-3,8-10H2,(H2,17,22)/t15-/m1/s1
InChIKeyHPPANHSIAKDJGE-OAHLLOKOSA-N
XLogP1.43
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzonitrile
CID 95609800
4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63249745
(2R)-1-[2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidine-2-carboxamide
CID 95750565
2-benzyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 56780662
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine
CID 56781108
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 98763927
N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 52505259
N-[4-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95609755
2-methyl-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95291938
6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 56780613
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
CID 95610028

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide (CID 95323908) is 4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCCC[C@@H]2Cn2cncn2)cc1.
What is the InChIKey of 4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide?
The InChIKey is HPPANHSIAKDJGE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N5O/c17-16(22)14-6-4-13(5-7-14)9-20-8-2-1-3-15(20)10-21-12-18-11-19-21/h4-7,11-12,15H,1-3,8-10H2,(H2,17,22)/t15-/m1/s1.
What are the key properties of 4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide?
4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide has a molecular weight of 299.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 95323908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).