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

C20H29N5O — CID 52505259

IUPACN-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCCCCN1CCCC[C@@H]1CNC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H29N5O/c1-2-3-11-24-12-5-4-6-19(24)13-22-20(26)18-9-7-17(8-10-18)14-25-16-21-15-23-25/h7-10,15-16,19H,2-6,11-14H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyOHJVMJJZWNACNV-LJQANCHMSA-N
MW355.49 g/mol
LogP2.71
Rot. Bonds8

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

N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 52505259) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID52505259
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCCCCN1CCCC[C@@H]1CNC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H29N5O/c1-2-3-11-24-12-5-4-6-19(24)13-22-20(26)18-9-7-17(8-10-18)14-25-16-21-15-23-25/h7-10,15-16,19H,2-6,11-14H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyOHJVMJJZWNACNV-LJQANCHMSA-N
XLogP2.71
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1-butylpiperidin-2-yl)methylamino]methyl]benzoic acid
CID 122031194
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 100839340
4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide
CID 95323908
N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 92583010
N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47082081
[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 95329463
4-[[[N-[(1-butylpiperidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874002
4-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18145582
piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 53001379
2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide
CID 55659343
4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137648
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35251102

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 52505259) is N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is OHJVMJJZWNACNV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H29N5O/c1-2-3-11-24-12-5-4-6-19(24)13-22-20(26)18-9-7-17(8-10-18)14-25-16-21-15-23-25/h7-10,15-16,19H,2-6,11-14H2,1H3,(H,22,26)/t19-/m1/s1.
What are the key properties of N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 355.49 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 52505259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).