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

C23H26N4O2 — CID 91887940

IUPACN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)c4cccc(C)c4)C3)n[nH]2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-5-3-6-18(13-16)23(28)24-19-7-4-12-27(15-19)22-14-21(25-26-22)17-8-10-20(29-2)11-9-17/h3,5-6,8-11,13-14,19H,4,7,12,15H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyIRGKXOSBGGFBKL-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.79
Rot. Bonds5

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

N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide (PubChem CID 91887940) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide
PubChem CID91887940
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)c4cccc(C)c4)C3)n[nH]2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-5-3-6-18(13-16)23(28)24-19-7-4-12-27(15-19)22-14-21(25-26-22)17-8-10-20(29-2)11-9-17/h3,5-6,8-11,13-14,19H,4,7,12,15H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyIRGKXOSBGGFBKL-UHFFFAOYSA-N
XLogP3.79
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide (CID 91887940) is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide is COc1ccc(-c2cc(N3CCCC(NC(=O)c4cccc(C)c4)C3)n[nH]2)cc1.
What is the InChIKey of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide?
The InChIKey is IRGKXOSBGGFBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-5-3-6-18(13-16)23(28)24-19-7-4-12-27(15-19)22-14-21(25-26-22)17-8-10-20(29-2)11-9-17/h3,5-6,8-11,13-14,19H,4,7,12,15H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide?
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide has a molecular weight of 390.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3-methylbenzamide is sourced from PubChem (CID 91887940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).