ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate

C24H29N3O5 — CID 3462926

IUPACethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1
InChIInChI=1S/C24H29N3O5/c1-3-32-24(30)18-7-6-14-27(15-18)16-22(28)25-19-12-10-17(11-13-19)23(29)26-20-8-4-5-9-21(20)31-2/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyXGGXDQLIPKMQPW-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.16
Rot. Bonds8

About ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate

ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 3462926) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate
PubChem CID3462926
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Nameethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1
InChIInChI=1S/C24H29N3O5/c1-3-32-24(30)18-7-6-14-27(15-18)16-22(28)25-19-12-10-17(11-13-19)23(29)26-20-8-4-5-9-21(20)31-2/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyXGGXDQLIPKMQPW-UHFFFAOYSA-N
XLogP3.16
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate (CID 3462926) is ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1.
What is the InChIKey of ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is XGGXDQLIPKMQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-3-32-24(30)18-7-6-14-27(15-18)16-22(28)25-19-12-10-17(11-13-19)23(29)26-20-8-4-5-9-21(20)31-2/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate?
ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 439.51 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 3462926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).