1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

C26H30N4O4 — CID 55596931

IUPAC1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCCCn3cccn3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H30N4O4/c1-33-21-9-5-19(6-10-21)25-23(26(32)27-15-3-17-29-18-4-16-28-29)13-14-24(31)30(25)20-7-11-22(34-2)12-8-20/h4-12,16,18,23,25H,3,13-15,17H2,1-2H3,(H,27,32)
InChIKeyNWYHTURTGHBTKQ-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.59
Rot. Bonds9

About 1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 55596931) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
PubChem CID55596931
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCCCn3cccn3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H30N4O4/c1-33-21-9-5-19(6-10-21)25-23(26(32)27-15-3-17-29-18-4-16-28-29)13-14-24(31)30(25)20-7-11-22(34-2)12-8-20/h4-12,16,18,23,25H,3,13-15,17H2,1-2H3,(H,27,32)
InChIKeyNWYHTURTGHBTKQ-UHFFFAOYSA-N
XLogP3.59
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 92653033
N-(3-aminopropyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 119408864
1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 56730488
1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 15994143
N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112767965
N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42989394
(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26917847
(2R,3R)-N-[3-[benzyl(ethyl)amino]propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 124766985
N-cyclopentyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43007439
(2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 41254769
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 22421992

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (CID 55596931) is 1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is COc1ccc(C2C(C(=O)NCCCn3cccn3)CCC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is NWYHTURTGHBTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-33-21-9-5-19(6-10-21)25-23(26(32)27-15-3-17-29-18-4-16-28-29)13-14-24(31)30(25)20-7-11-22(34-2)12-8-20/h4-12,16,18,23,25H,3,13-15,17H2,1-2H3,(H,27,32).
What are the key properties of 1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 55596931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).