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

C17H23N5O2 — CID 87052104

IUPACN-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCCCC2c2nncn2C)c1
InChIInChI=1S/C17H23N5O2/c1-21-12-19-20-16(21)15-8-3-4-9-22(15)17(23)18-11-13-6-5-7-14(10-13)24-2/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3,(H,18,23)
InChIKeyRPKZXBUGJPTFOM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.26
Rot. Bonds4

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

N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 87052104) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID87052104
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCCCC2c2nncn2C)c1
InChIInChI=1S/C17H23N5O2/c1-21-12-19-20-16(21)15-8-3-4-9-22(15)17(23)18-11-13-6-5-7-14(10-13)24-2/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3,(H,18,23)
InChIKeyRPKZXBUGJPTFOM-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 87052104) is N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is COc1cccc(CNC(=O)N2CCCCC2c2nncn2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is RPKZXBUGJPTFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-12-19-20-16(21)15-8-3-4-9-22(15)17(23)18-11-13-6-5-7-14(10-13)24-2/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3,(H,18,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 87052104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).