N-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

C23H26N4O2 — CID 53165422

IUPACN-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(c3cc(-c4cccc(C)c4)n[nH]3)CC2)c1
InChIInChI=1S/C23H26N4O2/c1-16-5-3-6-18(13-16)22-15-21(25-26-22)17-9-11-27(12-10-17)23(28)24-19-7-4-8-20(14-19)29-2/h3-8,13-15,17H,9-12H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyUGSUKOCOCIJNIK-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.81
Rot. Bonds4

About N-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

N-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 53165422) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID53165422
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(c3cc(-c4cccc(C)c4)n[nH]3)CC2)c1
InChIInChI=1S/C23H26N4O2/c1-16-5-3-6-18(13-16)22-15-21(25-26-22)17-9-11-27(12-10-17)23(28)24-19-7-4-8-20(14-19)29-2/h3-8,13-15,17H,9-12H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyUGSUKOCOCIJNIK-UHFFFAOYSA-N
XLogP4.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 53165422) is N-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(c3cc(-c4cccc(C)c4)n[nH]3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is UGSUKOCOCIJNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-5-3-6-18(13-16)22-15-21(25-26-22)17-9-11-27(12-10-17)23(28)24-19-7-4-8-20(14-19)29-2/h3-8,13-15,17H,9-12H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53165422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).