N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

C25H28N4O4 — CID 24817173

IUPACN-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)cc1C
InChIInChI=1S/C25H28N4O4/c1-17-13-18(3-5-21(17)31-2)15-28-11-8-20(9-12-28)29-24(7-10-26-29)27-25(30)19-4-6-22-23(14-19)33-16-32-22/h3-7,10,13-14,20H,8-9,11-12,15-16H2,1-2H3,(H,27,30)
InChIKeyGPCVVOWIYPIBDE-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.02
Rot. Bonds6

About N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 24817173) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID24817173
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)cc1C
InChIInChI=1S/C25H28N4O4/c1-17-13-18(3-5-21(17)31-2)15-28-11-8-20(9-12-28)29-24(7-10-26-29)27-25(30)19-4-6-22-23(14-19)33-16-32-22/h3-7,10,13-14,20H,8-9,11-12,15-16H2,1-2H3,(H,27,30)
InChIKeyGPCVVOWIYPIBDE-UHFFFAOYSA-N
XLogP4.02
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 1510954
(S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzo[d][1,3]dioxole-5-carboxamide
CID 46886477
3-[trans-2-(2-methoxyphenyl)vinyl]-5-(2-methoxy-(1S)-methyl-ethoxy)-N-(1-methyl-1H-pyrazol-3-yl)-benzamide
CID 71540614
3-[2-(1,3-benzodioxol-5-yl)ethynyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 122177981
ethyl {3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1H-pyrazol-1-yl}acetate
CID 5303478
(5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135567082
N-(1-benzyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 1509196
N-{1-[1-(4-ethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-1,3-benzodioxole-5-carboxamide
CID 24790597
N-{1-[1-(4-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24791108
N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}-1,3-benzodioxole-5-carboxamide
CID 24791191
4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24791316
N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-piperidinyl]-3-pyrazolyl]-4-phenylbutanamide
CID 24792989

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 24817173) is N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is COc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)cc1C.
What is the InChIKey of N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is GPCVVOWIYPIBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-17-13-18(3-5-21(17)31-2)15-28-11-8-20(9-12-28)29-24(7-10-26-29)27-25(30)19-4-6-22-23(14-19)33-16-32-22/h3-7,10,13-14,20H,8-9,11-12,15-16H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 24817173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).