N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide

C16H19N5O3 — CID 126841745

IUPACN-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(-n2cc(NC(=O)C3(C)CCC(=O)NC3)nn2)c1
InChIInChI=1S/C16H19N5O3/c1-16(7-6-14(22)17-10-16)15(23)18-13-9-21(20-19-13)11-4-3-5-12(8-11)24-2/h3-5,8-9H,6-7,10H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyJWGVHNTWGZDLAT-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.13
Rot. Bonds4

About N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide

N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 126841745) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide
PubChem CID126841745
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(-n2cc(NC(=O)C3(C)CCC(=O)NC3)nn2)c1
InChIInChI=1S/C16H19N5O3/c1-16(7-6-14(22)17-10-16)15(23)18-13-9-21(20-19-13)11-4-3-5-12(8-11)24-2/h3-5,8-9H,6-7,10H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyJWGVHNTWGZDLAT-UHFFFAOYSA-N
XLogP1.13
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-methyl-6-oxopiperidine-3-carboxamide
CID 136539957
1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide
CID 138009885
N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 155944475
2,2,2-trifluoro-1-[1-(3-methoxyphenyl)triazol-4-yl]ethanone
CID 62580870
N-(3-iodo-4-pyridinyl)-3-methyl-6-oxopiperidine-3-carboxamide
CID 167827365
1-methylsulfonyl-N-(1-phenyltriazol-4-yl)cyclopropane-1-carboxamide
CID 138049585
1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 47089378
1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine
CID 141302836
N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154801343
1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine
CID 117167633
N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154797601
4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
CID 156521583

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide (CID 126841745) is N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide is COc1cccc(-n2cc(NC(=O)C3(C)CCC(=O)NC3)nn2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is JWGVHNTWGZDLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-16(7-6-14(22)17-10-16)15(23)18-13-9-21(20-19-13)11-4-3-5-12(8-11)24-2/h3-5,8-9H,6-7,10H2,1-2H3,(H,17,22)(H,18,23).
What are the key properties of N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide?
N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 126841745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).