1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide

C24H26N4O4 — CID 45169050

IUPAC1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
SMILESCOc1cc(CN2CCCCC2C(=O)Nc2ccc(-n3cccn3)cc2)cc2c1OCO2
InChIInChI=1S/C24H26N4O4/c1-30-21-13-17(14-22-23(21)32-16-31-22)15-27-11-3-2-5-20(27)24(29)26-18-6-8-19(9-7-18)28-12-4-10-25-28/h4,6-10,12-14,20H,2-3,5,11,15-16H2,1H3,(H,26,29)
InChIKeyCPJYXNCOMGONEF-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.60
Rot. Bonds6

About 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide

1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide (PubChem CID 45169050) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
PubChem CID45169050
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
SMILESCOc1cc(CN2CCCCC2C(=O)Nc2ccc(-n3cccn3)cc2)cc2c1OCO2
InChIInChI=1S/C24H26N4O4/c1-30-21-13-17(14-22-23(21)32-16-31-22)15-27-11-3-2-5-20(27)24(29)26-18-6-8-19(9-7-18)28-12-4-10-25-28/h4,6-10,12-14,20H,2-3,5,11,15-16H2,1H3,(H,26,29)
InChIKeyCPJYXNCOMGONEF-UHFFFAOYSA-N
XLogP3.60
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-methoxyphenyl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45225109
1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45245025
(2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid
CID 167938640
N-(4-pyrazol-1-ylphenyl)-1-(quinolin-8-ylmethyl)piperidine-2-carboxamide
CID 24819180
1-(3-methylsulfanylpropyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45198770
N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 110194272
(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 1129906
N-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide
CID 45228050
(2S)-1-[(5-methoxy-4-oxopyran-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 72838971
methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027872
5-methoxy-N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 39460731
(2R)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1352742

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide (CID 45169050) is 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide is COc1cc(CN2CCCCC2C(=O)Nc2ccc(-n3cccn3)cc2)cc2c1OCO2.
What is the InChIKey of 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The InChIKey is CPJYXNCOMGONEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-30-21-13-17(14-22-23(21)32-16-31-22)15-27-11-3-2-5-20(27)24(29)26-18-6-8-19(9-7-18)28-12-4-10-25-28/h4,6-10,12-14,20H,2-3,5,11,15-16H2,1H3,(H,26,29).
What are the key properties of 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 45169050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).