1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide

C18H24N4O2 — CID 155879248

IUPAC1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(n2cccn2)CCCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C18H24N4O2/c1-19-17(23)18(22-11-5-9-20-22)8-4-10-21(14-18)13-15-6-3-7-16(12-15)24-2/h3,5-7,9,11-12H,4,8,10,13-14H2,1-2H3,(H,19,23)
InChIKeyIQOQZTPCCVBQFR-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.63
Rot. Bonds5

About 1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide

1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide (PubChem CID 155879248) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
PubChem CID155879248
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(n2cccn2)CCCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C18H24N4O2/c1-19-17(23)18(22-11-5-9-20-22)8-4-10-21(14-18)13-15-6-3-7-16(12-15)24-2/h3,5-7,9,11-12H,4,8,10,13-14H2,1-2H3,(H,19,23)
InChIKeyIQOQZTPCCVBQFR-UHFFFAOYSA-N
XLogP1.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878944
N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155880024
(3R)-1-[(3-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92610002
2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane
CID 175649184
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97482755
N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155878997
N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878692
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
N-methyl-1-[2-(2-methylphenoxy)acetyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879396
3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 155878831
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97482761

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide (CID 155879248) is 1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide is CNC(=O)C1(n2cccn2)CCCN(Cc2cccc(OC)c2)C1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The InChIKey is IQOQZTPCCVBQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-19-17(23)18(22-11-5-9-20-22)8-4-10-21(14-18)13-15-6-3-7-16(12-15)24-2/h3,5-7,9,11-12H,4,8,10,13-14H2,1-2H3,(H,19,23).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.63, 5 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-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 155879248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).