1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide

C24H31N3O3 — CID 53117259

IUPAC1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
SMILESCCc1ccc(NC(=O)N2CCCC(C)(C(=O)NCc3cccc(OC)c3)C2)cc1
InChIInChI=1S/C24H31N3O3/c1-4-18-9-11-20(12-10-18)26-23(29)27-14-6-13-24(2,17-27)22(28)25-16-19-7-5-8-21(15-19)30-3/h5,7-12,15H,4,6,13-14,16-17H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyJSPMUORFCZTMQT-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.21
Rot. Bonds6

About 1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide

1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide (PubChem CID 53117259) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
PubChem CID53117259
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
SMILESCCc1ccc(NC(=O)N2CCCC(C)(C(=O)NCc3cccc(OC)c3)C2)cc1
InChIInChI=1S/C24H31N3O3/c1-4-18-9-11-20(12-10-18)26-23(29)27-14-6-13-24(2,17-27)22(28)25-16-19-7-5-8-21(15-19)30-3/h5,7-12,15H,4,6,13-14,16-17H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyJSPMUORFCZTMQT-UHFFFAOYSA-N
XLogP4.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide (CID 53117259) is 1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide is CCc1ccc(NC(=O)N2CCCC(C)(C(=O)NCc3cccc(OC)c3)C2)cc1.
What is the InChIKey of 1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The InChIKey is JSPMUORFCZTMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-18-9-11-20(12-10-18)26-23(29)27-14-6-13-24(2,17-27)22(28)25-16-19-7-5-8-21(15-19)30-3/h5,7-12,15H,4,6,13-14,16-17H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 53117259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).