2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide

C24H28N4O4 — CID 99741411

IUPAC2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
SMILESCOc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc(OC)cc4OC)C3)n[nH]2)cc1
InChIInChI=1S/C24H28N4O4/c1-30-18-8-6-16(7-9-18)21-14-23(27-26-21)28-12-4-5-17(15-28)25-24(29)20-11-10-19(31-2)13-22(20)32-3/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H,25,29)(H,26,27)/t17-/m1/s1
InChIKeyLSZDCHSKGUNZOE-QGZVFWFLSA-N
MW436.51 g/mol
LogP3.50
Rot. Bonds7

About 2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide

2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide (PubChem CID 99741411) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
PubChem CID99741411
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
SMILESCOc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc(OC)cc4OC)C3)n[nH]2)cc1
InChIInChI=1S/C24H28N4O4/c1-30-18-8-6-16(7-9-18)21-14-23(27-26-21)28-12-4-5-17(15-28)25-24(29)20-11-10-19(31-2)13-22(20)32-3/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H,25,29)(H,26,27)/t17-/m1/s1
InChIKeyLSZDCHSKGUNZOE-QGZVFWFLSA-N
XLogP3.50
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887918
4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide
CID 99741786
N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
CID 99741436
2,4-dimethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528143
4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 53181016
N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-4-carboxamide
CID 99741441
N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide
CID 99741183
N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide
CID 99741021
2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide
CID 99741177
N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 99741494
4-bromo-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 91888184
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide (CID 99741411) is 2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide is COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc(OC)cc4OC)C3)n[nH]2)cc1.
What is the InChIKey of 2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The InChIKey is LSZDCHSKGUNZOE-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-30-18-8-6-16(7-9-18)21-14-23(27-26-21)28-12-4-5-17(15-28)25-24(29)20-11-10-19(31-2)13-22(20)32-3/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H,25,29)(H,26,27)/t17-/m1/s1.
What are the key properties of 2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide is sourced from PubChem (CID 99741411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).