N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

C26H34N2O3 — CID 18209297

IUPACN-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN(CC)C(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1ccccc1OC
InChIInChI=1S/C26H34N2O3/c1-5-7-18-27(6-2)26(30)22-16-17-24(29)28(20-14-12-19(3)13-15-20)25(22)21-10-8-9-11-23(21)31-4/h8-15,22,25H,5-7,16-18H2,1-4H3
InChIKeyLJVIBIZHMGOQQH-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.14
Rot. Bonds8

About N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 18209297) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID18209297
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN(CC)C(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1ccccc1OC
InChIInChI=1S/C26H34N2O3/c1-5-7-18-27(6-2)26(30)22-16-17-24(29)28(20-14-12-19(3)13-15-20)25(22)21-10-8-9-11-23(21)31-4/h8-15,22,25H,5-7,16-18H2,1-4H3
InChIKeyLJVIBIZHMGOQQH-UHFFFAOYSA-N
XLogP5.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 18209297) is N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is CCCCN(CC)C(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1ccccc1OC.
What is the InChIKey of N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is LJVIBIZHMGOQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-5-7-18-27(6-2)26(30)22-16-17-24(29)28(20-14-12-19(3)13-15-20)25(22)21-10-8-9-11-23(21)31-4/h8-15,22,25H,5-7,16-18H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 18209297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).