ethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate

C24H28N2O5 — CID 3907788

IUPACethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C24H28N2O5/c1-3-31-23(29)24(19-7-5-4-6-8-19)13-15-26(16-14-24)17-21(27)25-20-11-9-18(10-12-20)22(28)30-2/h4-12H,3,13-17H2,1-2H3,(H,25,27)
InChIKeyRBVUXISKQXTHAN-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.01
Rot. Bonds7

About ethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate

ethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate (PubChem CID 3907788) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is ethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate
PubChem CID3907788
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Nameethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C24H28N2O5/c1-3-31-23(29)24(19-7-5-4-6-8-19)13-15-26(16-14-24)17-21(27)25-20-11-9-18(10-12-20)22(28)30-2/h4-12H,3,13-17H2,1-2H3,(H,25,27)
InChIKeyRBVUXISKQXTHAN-UHFFFAOYSA-N
XLogP3.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate (CID 3907788) is ethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2ccc(C(=O)OC)cc2)CC1.
What is the InChIKey of ethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate?
The InChIKey is RBVUXISKQXTHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-3-31-23(29)24(19-7-5-4-6-8-19)13-15-26(16-14-24)17-21(27)25-20-11-9-18(10-12-20)22(28)30-2/h4-12H,3,13-17H2,1-2H3,(H,25,27).
What are the key properties of ethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate?
ethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 3907788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).