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

C24H26N4O5 — CID 24817743

IUPACN-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)ccc1O
InChIInChI=1S/C24H26N4O5/c1-31-21-12-16(2-4-19(21)29)14-27-10-7-18(8-11-27)28-23(6-9-25-28)26-24(30)17-3-5-20-22(13-17)33-15-32-20/h2-6,9,12-13,18,29H,7-8,10-11,14-15H2,1H3,(H,26,30)
InChIKeyBCHDOVQLLPZZEJ-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.42
Rot. Bonds6

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

N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 24817743) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID24817743
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)ccc1O
InChIInChI=1S/C24H26N4O5/c1-31-21-12-16(2-4-19(21)29)14-27-10-7-18(8-11-27)28-23(6-9-25-28)26-24(30)17-3-5-20-22(13-17)33-15-32-20/h2-6,9,12-13,18,29H,7-8,10-11,14-15H2,1H3,(H,26,30)
InChIKeyBCHDOVQLLPZZEJ-UHFFFAOYSA-N
XLogP3.42
TPSA98.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[1-[(4-hydroxy-3-methoxyphenyl)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-[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
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-(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-{1-[1-(2-methylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-1,3-benzodioxole-5-carboxamide
CID 24793227
N-[2-[1-[(E)-2-methylbut-2-enyl]-4-piperidyl]pyrazol-3-yl]-piperonylamide
CID 24793943
N-[1-(1-benzyl-4-piperidinyl)-1H-pyrazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 24794343
N-[1-(1-cyclobutyl-4-piperidinyl)-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 24816610

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 24817743) is N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is COc1cc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)ccc1O.
What is the InChIKey of N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is BCHDOVQLLPZZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-31-21-12-16(2-4-19(21)29)14-27-10-7-18(8-11-27)28-23(6-9-25-28)26-24(30)17-3-5-20-22(13-17)33-15-32-20/h2-6,9,12-13,18,29H,7-8,10-11,14-15H2,1H3,(H,26,30).
What are the key properties of N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 24817743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).