N-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C17H23N5O2 — CID 71894116

IUPACN-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCCC(c2nncn2C)C1
InChIInChI=1S/C17H23N5O2/c1-21-12-19-20-16(21)14-7-5-9-22(11-14)17(23)18-10-13-6-3-4-8-15(13)24-2/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3,(H,18,23)
InChIKeyBNSZSSJWINFHRO-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.91
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 71894116) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID71894116
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCCC(c2nncn2C)C1
InChIInChI=1S/C17H23N5O2/c1-21-12-19-20-16(21)14-7-5-9-22(11-14)17(23)18-10-13-6-3-4-8-15(13)24-2/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3,(H,18,23)
InChIKeyBNSZSSJWINFHRO-UHFFFAOYSA-N
XLogP1.91
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 71894116) is N-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is COc1ccccc1CNC(=O)N1CCCC(c2nncn2C)C1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is BNSZSSJWINFHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-12-19-20-16(21)14-7-5-9-22(11-14)17(23)18-10-13-6-3-4-8-15(13)24-2/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3,(H,18,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71894116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).