4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide

C15H19N5O — CID 50968471

IUPAC4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide
SMILESCC1CCCN(c2ccc(C(N)=O)cc2-n2cnnc2)C1
InChIInChI=1S/C15H19N5O/c1-11-3-2-6-19(8-11)13-5-4-12(15(16)21)7-14(13)20-9-17-18-10-20/h4-5,7,9-11H,2-3,6,8H2,1H3,(H2,16,21)
InChIKeyXDKIKHPIKZQILM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.60
Rot. Bonds3

About 4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide

4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 50968471) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID50968471
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide
SMILESCC1CCCN(c2ccc(C(N)=O)cc2-n2cnnc2)C1
InChIInChI=1S/C15H19N5O/c1-11-3-2-6-19(8-11)13-5-4-12(15(16)21)7-14(13)20-9-17-18-10-20/h4-5,7,9-11H,2-3,6,8H2,1H3,(H2,16,21)
InChIKeyXDKIKHPIKZQILM-UHFFFAOYSA-N
XLogP1.60
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-4-(3-methylpiperidin-1-yl)benzamide
CID 168516568
4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide
CID 7831848
3-[[amino-(diaminomethylideneamino)methylidene]amino]-4-(3-methylpiperidin-1-yl)benzamide
CID 168602241
1-[3-chloro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethanone
CID 94830564
2-methyl-6-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 90718373
3-fluoro-4-(3-methylpiperidin-1-yl)benzenecarbothioamide
CID 43657687
ethyl 3-amino-4-[(3R)-3-methylpiperidin-1-yl]benzoate
CID 86319022
4-bromo-3-(1,2,4-triazol-4-yl)benzamide
CID 56737242
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-4-piperidin-1-ylbenzamide
CID 2927866
2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid
CID 7138041
1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanone
CID 82966788
4-methyl-3-pyrrolidin-1-ylbenzamide
CID 68604380

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide (CID 50968471) is 4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide is CC1CCCN(c2ccc(C(N)=O)cc2-n2cnnc2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is XDKIKHPIKZQILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-3-2-6-19(8-11)13-5-4-12(15(16)21)7-14(13)20-9-17-18-10-20/h4-5,7,9-11H,2-3,6,8H2,1H3,(H2,16,21).
What are the key properties of 4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide?
4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 285.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 50968471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).