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

C19H24N4O3 — CID 24790236

IUPAC1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCc3cnn(C)c3)CCC2=O)c1
InChIInChI=1S/C19H24N4O3/c1-22-11-15(10-21-22)9-20-19(25)16-6-7-18(24)23(13-16)12-14-4-3-5-17(8-14)26-2/h3-5,8,10-11,16H,6-7,9,12-13H2,1-2H3,(H,20,25)
InChIKeyGVAAWJDJIQNVJN-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.48
Rot. Bonds6

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

1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790236) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790236
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCc3cnn(C)c3)CCC2=O)c1
InChIInChI=1S/C19H24N4O3/c1-22-11-15(10-21-22)9-20-19(25)16-6-7-18(24)23(13-16)12-14-4-3-5-17(8-14)26-2/h3-5,8,10-11,16H,6-7,9,12-13H2,1-2H3,(H,20,25)
InChIKeyGVAAWJDJIQNVJN-UHFFFAOYSA-N
XLogP1.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 1244077
N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309499
2-[3-oxo-1-(3-phenoxybenzyl)-2-piperazinyl]-N-[3-(1H-pyrazol-1-yl)propyl]acetamide
CID 16190181
2-[1-(3,5-dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191581
2-[1-(2,3-dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191921
N-(3'-methoxy-4-biphenylyl)-1-[3-(1H-pyrazol-1-yl)propyl]-3-piperidinecarboxamide
CID 24790065
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790433
Sdccgsbi-0117357.P001
CID 24790440
N-(3'-methoxy-4-biphenylyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24817668
1-(4-fluoro-3-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24818940
1-(2-methoxybenzyl)-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 24818964
1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-(3'-methoxy-4-biphenylyl)-3-piperidinecarboxamide
CID 24818983

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790236) is 1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is COc1cccc(CN2CC(C(=O)NCc3cnn(C)c3)CCC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is GVAAWJDJIQNVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-11-15(10-21-22)9-20-19(25)16-6-7-18(24)23(13-16)12-14-4-3-5-17(8-14)26-2/h3-5,8,10-11,16H,6-7,9,12-13H2,1-2H3,(H,20,25).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).