N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

C24H31N3O3 — CID 16809626

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-18-3-7-21(8-4-18)26-23(28)17-27-15-12-20(13-16-27)24(29)25-14-11-19-5-9-22(30-2)10-6-19/h3-10,20H,11-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyWFBWEFDGYUYKAL-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.01
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16809626) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID16809626
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-18-3-7-21(8-4-18)26-23(28)17-27-15-12-20(13-16-27)24(29)25-14-11-19-5-9-22(30-2)10-6-19/h3-10,20H,11-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyWFBWEFDGYUYKAL-UHFFFAOYSA-N
XLogP3.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 16809626) is N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is WFBWEFDGYUYKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18-3-7-21(8-4-18)26-23(28)17-27-15-12-20(13-16-27)24(29)25-14-11-19-5-9-22(30-2)10-6-19/h3-10,20H,11-17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16809626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).