1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide

C19H27N5O — CID 84593882

IUPAC1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(Cc2ccc(-n3cncn3)c(C)c2)C1
InChIInChI=1S/C19H27N5O/c1-3-8-21-19(25)17-5-4-9-23(12-17)11-16-6-7-18(15(2)10-16)24-14-20-13-22-24/h6-7,10,13-14,17H,3-5,8-9,11-12H2,1-2H3,(H,21,25)
InChIKeyMWHBJOZKTTXCSN-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.31
Rot. Bonds6

About 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide

1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide (PubChem CID 84593882) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide
PubChem CID84593882
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(Cc2ccc(-n3cncn3)c(C)c2)C1
InChIInChI=1S/C19H27N5O/c1-3-8-21-19(25)17-5-4-9-23(12-17)11-16-6-7-18(15(2)10-16)24-14-20-13-22-24/h6-7,10,13-14,17H,3-5,8-9,11-12H2,1-2H3,(H,21,25)
InChIKeyMWHBJOZKTTXCSN-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide (CID 84593882) is 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(Cc2ccc(-n3cncn3)c(C)c2)C1.
What is the InChIKey of 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is MWHBJOZKTTXCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-8-21-19(25)17-5-4-9-23(12-17)11-16-6-7-18(15(2)10-16)24-14-20-13-22-24/h6-7,10,13-14,17H,3-5,8-9,11-12H2,1-2H3,(H,21,25).
What are the key properties of 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide?
1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 84593882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).