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

C17H23N5O2 — CID 120623365

IUPAC4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2cccc(-c3nncn3C)c2)CCNCC1
InChIInChI=1S/C17H23N5O2/c1-22-12-19-21-15(22)13-4-3-5-14(10-13)20-16(23)17(11-24-2)6-8-18-9-7-17/h3-5,10,12,18H,6-9,11H2,1-2H3,(H,20,23)
InChIKeyYNHKVCWBQKXHAU-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.44
Rot. Bonds5

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

4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide (PubChem CID 120623365) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide
PubChem CID120623365
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2cccc(-c3nncn3C)c2)CCNCC1
InChIInChI=1S/C17H23N5O2/c1-22-12-19-21-15(22)13-4-3-5-14(10-13)20-16(23)17(11-24-2)6-8-18-9-7-17/h3-5,10,12,18H,6-9,11H2,1-2H3,(H,20,23)
InChIKeyYNHKVCWBQKXHAU-UHFFFAOYSA-N
XLogP1.44
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide (CID 120623365) is 4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide is COCC1(C(=O)Nc2cccc(-c3nncn3C)c2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is YNHKVCWBQKXHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-22-12-19-21-15(22)13-4-3-5-14(10-13)20-16(23)17(11-24-2)6-8-18-9-7-17/h3-5,10,12,18H,6-9,11H2,1-2H3,(H,20,23).
What are the key properties of 4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120623365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).