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

C24H28N4O3 — CID 71839634

IUPACN-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(c3cc(-c4cccc(OC)c4)n[nH]3)CC2)c1
InChIInChI=1S/C24H28N4O3/c1-30-20-7-3-5-17(13-20)16-25-24(29)28-11-9-18(10-12-28)22-15-23(27-26-22)19-6-4-8-21(14-19)31-2/h3-8,13-15,18H,9-12,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeySVSRYLDKJVWZTC-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.18
Rot. Bonds6

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

N-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 71839634) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID71839634
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(c3cc(-c4cccc(OC)c4)n[nH]3)CC2)c1
InChIInChI=1S/C24H28N4O3/c1-30-20-7-3-5-17(13-20)16-25-24(29)28-11-9-18(10-12-28)22-15-23(27-26-22)19-6-4-8-21(14-19)31-2/h3-8,13-15,18H,9-12,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeySVSRYLDKJVWZTC-UHFFFAOYSA-N
XLogP4.18
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 71839634) is N-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is COc1cccc(CNC(=O)N2CCC(c3cc(-c4cccc(OC)c4)n[nH]3)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is SVSRYLDKJVWZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-30-20-7-3-5-17(13-20)16-25-24(29)28-11-9-18(10-12-28)22-15-23(27-26-22)19-6-4-8-21(14-19)31-2/h3-8,13-15,18H,9-12,16H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71839634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).