ethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate

C25H30N2O5 — CID 4273842

IUPACethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C25H30N2O5/c1-3-32-24(30)25(20-7-5-4-6-8-20)14-17-27(18-15-25)16-13-22(28)26-21-11-9-19(10-12-21)23(29)31-2/h4-12H,3,13-18H2,1-2H3,(H,26,28)
InChIKeyAYDVONBOMHRHRK-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.40
Rot. Bonds8

About ethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate

ethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate (PubChem CID 4273842) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is ethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
PubChem CID4273842
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Nameethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C25H30N2O5/c1-3-32-24(30)25(20-7-5-4-6-8-20)14-17-27(18-15-25)16-13-22(28)26-21-11-9-19(10-12-21)23(29)31-2/h4-12H,3,13-18H2,1-2H3,(H,26,28)
InChIKeyAYDVONBOMHRHRK-UHFFFAOYSA-N
XLogP3.40
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-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-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate (CID 4273842) is ethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2ccc(C(=O)OC)cc2)CC1.
What is the InChIKey of ethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate?
The InChIKey is AYDVONBOMHRHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-3-32-24(30)25(20-7-5-4-6-8-20)14-17-27(18-15-25)16-13-22(28)26-21-11-9-19(10-12-21)23(29)31-2/h4-12H,3,13-18H2,1-2H3,(H,26,28).
What are the key properties of ethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate?
ethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate has a molecular weight of 438.52 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(4-methoxycarbonylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 4273842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).