1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide

C22H27N3O3 — CID 24761903

IUPAC1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(C(=O)NCCc3ccccc3)C2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-11-9-19(10-12-20)24-22(27)25-15-5-8-18(16-25)21(26)23-14-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,18H,5,8,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyWLCJRYRDQZJYPS-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.30
Rot. Bonds6

About 1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide

1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide (PubChem CID 24761903) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
PubChem CID24761903
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(C(=O)NCCc3ccccc3)C2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-11-9-19(10-12-20)24-22(27)25-15-5-8-18(16-25)21(26)23-14-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,18H,5,8,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyWLCJRYRDQZJYPS-UHFFFAOYSA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide (CID 24761903) is 1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide is COc1ccc(NC(=O)N2CCCC(C(=O)NCCc3ccccc3)C2)cc1.
What is the InChIKey of 1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The InChIKey is WLCJRYRDQZJYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-20-11-9-19(10-12-20)24-22(27)25-15-5-8-18(16-25)21(26)23-14-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,18H,5,8,13-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 24761903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).