N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide

C24H24N4O4 — CID 55788858

IUPACN-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)nn1-c1ccccc1
InChIInChI=1S/C24H24N4O4/c1-16-13-20(26-28(16)19-5-3-2-4-6-19)24(30)27-11-9-17(10-12-27)23(29)25-18-7-8-21-22(14-18)32-15-31-21/h2-8,13-14,17H,9-12,15H2,1H3,(H,25,29)
InChIKeyLDVWMQMGUFHBPA-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.40
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide (PubChem CID 55788858) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
PubChem CID55788858
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)nn1-c1ccccc1
InChIInChI=1S/C24H24N4O4/c1-16-13-20(26-28(16)19-5-3-2-4-6-19)24(30)27-11-9-17(10-12-27)23(29)25-18-7-8-21-22(14-18)32-15-31-21/h2-8,13-14,17H,9-12,15H2,1H3,(H,25,29)
InChIKeyLDVWMQMGUFHBPA-UHFFFAOYSA-N
XLogP3.40
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]piperidine-4-carboxamide
CID 17490066
1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809952
N-(1,3-benzodioxol-5-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 41410894
3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 146134401
4-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119179810
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 1072840
N-(1,3-benzodioxol-5-yl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118777
N-(1,3-benzodioxol-5-yl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55788859
1-[(2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 41167121
1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 8850769
N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767369

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide (CID 55788858) is N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide is Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)nn1-c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is LDVWMQMGUFHBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-16-13-20(26-28(16)19-5-3-2-4-6-19)24(30)27-11-9-17(10-12-27)23(29)25-18-7-8-21-22(14-18)32-15-31-21/h2-8,13-14,17H,9-12,15H2,1H3,(H,25,29).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55788858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).