3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide

C23H26N4O3 — CID 75528323

IUPAC3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(-c2cc(N3CCC(NC(=O)c4cccc(OC)c4)CC3)n[nH]2)cc1
InChIInChI=1S/C23H26N4O3/c1-29-19-8-6-16(7-9-19)21-15-22(26-25-21)27-12-10-18(11-13-27)24-23(28)17-4-3-5-20(14-17)30-2/h3-9,14-15,18H,10-13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyRVZYSKWVHLSKQK-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.49
Rot. Bonds6

About 3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide

3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide (PubChem CID 75528323) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
PubChem CID75528323
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(-c2cc(N3CCC(NC(=O)c4cccc(OC)c4)CC3)n[nH]2)cc1
InChIInChI=1S/C23H26N4O3/c1-29-19-8-6-16(7-9-19)21-15-22(26-25-21)27-12-10-18(11-13-27)24-23(28)17-4-3-5-20(14-17)30-2/h3-9,14-15,18H,10-13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyRVZYSKWVHLSKQK-UHFFFAOYSA-N
XLogP3.49
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528481
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methoxybenzamide
CID 91888027
3-bromo-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741798
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]furan-3-carboxamide
CID 75528349
3-(dimethylamino)-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741492
3-chloro-4-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528340
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528307
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563
5-bromo-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]furan-2-carboxamide
CID 75528314
N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 99741494
3,4-difluoro-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741777

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide (CID 75528323) is 3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide is COc1ccc(-c2cc(N3CCC(NC(=O)c4cccc(OC)c4)CC3)n[nH]2)cc1.
What is the InChIKey of 3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
The InChIKey is RVZYSKWVHLSKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-19-8-6-16(7-9-19)21-15-22(26-25-21)27-12-10-18(11-13-27)24-23(28)17-4-3-5-20(14-17)30-2/h3-9,14-15,18H,10-13H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 75528323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).