N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C19H27N5O — CID 47082081

IUPACN-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC1CCN(C(C)CNC(=O)c2ccc(Cn3cncn3)cc2)CC1
InChIInChI=1S/C19H27N5O/c1-15-7-9-23(10-8-15)16(2)11-21-19(25)18-5-3-17(4-6-18)12-24-14-20-13-22-24/h3-6,13-16H,7-12H2,1-2H3,(H,21,25)
InChIKeyREMWJNGIPREQGE-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.18
Rot. Bonds6

About N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 47082081) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID47082081
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC1CCN(C(C)CNC(=O)c2ccc(Cn3cncn3)cc2)CC1
InChIInChI=1S/C19H27N5O/c1-15-7-9-23(10-8-15)16(2)11-21-19(25)18-5-3-17(4-6-18)12-24-14-20-13-22-24/h3-6,13-16H,7-12H2,1-2H3,(H,21,25)
InChIKeyREMWJNGIPREQGE-UHFFFAOYSA-N
XLogP2.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 24615697
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 92583010
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 60551856
5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 86853139
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35251102
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-benzodioxole-5-carboxamide
CID 112502468
4-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18145582
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 95167728
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 32634705
N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 39651009

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 47082081) is N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is CC1CCN(C(C)CNC(=O)c2ccc(Cn3cncn3)cc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is REMWJNGIPREQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15-7-9-23(10-8-15)16(2)11-21-19(25)18-5-3-17(4-6-18)12-24-14-20-13-22-24/h3-6,13-16H,7-12H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 341.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 47082081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).