ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate

C32H40FN3O4 — CID 118898146

IUPACethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(C)CCN(C2=NOC3(C2)CN(Cc2cc(OCC)c(-c4ccc(F)cc4)cc2C2CC2)C3)CC1
InChIInChI=1S/C32H40FN3O4/c1-4-38-28-16-24(26(22-6-7-22)17-27(28)23-8-10-25(33)11-9-23)19-35-20-32(21-35)18-29(34-40-32)36-14-12-31(3,13-15-36)30(37)39-5-2/h8-11,16-17,22H,4-7,12-15,18-21H2,1-3H3
InChIKeyUKKURIKSIWTDMF-UHFFFAOYSA-N
MW549.69 g/mol
LogP5.72
Rot. Bonds8

About ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate

ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate (PubChem CID 118898146) has the molecular formula C32H40FN3O4 and a molecular weight of 549.69 g/mol. Its IUPAC name is ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate
PubChem CID118898146
Molecular FormulaC32H40FN3O4
Molecular Weight549.69 g/mol
Exact Mass549.30
IUPAC Nameethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(C)CCN(C2=NOC3(C2)CN(Cc2cc(OCC)c(-c4ccc(F)cc4)cc2C2CC2)C3)CC1
InChIInChI=1S/C32H40FN3O4/c1-4-38-28-16-24(26(22-6-7-22)17-27(28)23-8-10-25(33)11-9-23)19-35-20-32(21-35)18-29(34-40-32)36-14-12-31(3,13-15-36)30(37)39-5-2/h8-11,16-17,22H,4-7,12-15,18-21H2,1-3H3
InChIKeyUKKURIKSIWTDMF-UHFFFAOYSA-N
XLogP5.72
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.69
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-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

Related Compounds

ethyl 1-[2-[[5-cyclopropyl-4-(2,6-difluorophenyl)-2-ethoxyphenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate
CID 118897871
ethyl 1-[2-[[5-cyclopropyl-2-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylate
CID 118897976
ethyl 1-[2-[[3-cyclopropyl-4-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate
CID 118898166
ethyl 1-[2-[[5-cyclopropyl-4-(3,4-difluorophenyl)-2-methoxyphenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate
CID 118897978
ethyl 1-[2-[[5-cyclopropyl-4-(4,4-difluoropiperidin-1-yl)-2-ethoxyphenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate
CID 90423666
ethyl 1-[2-[[3-cyclopropyl-4-(4-fluorophenyl)-5-(3-methylsulfonylpropoxy)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate
CID 118897699
ethyl 1-[2-[[3-ethoxy-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate
CID 118898095
ethyl 1-[2-[(3-chloro-4,5-dicyclopropyl-2-ethoxyphenyl)methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate
CID 118897783
ethyl 1-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylate
CID 118897913
ethyl 1-[2-[[5-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate
CID 118898043
1-[2-[[3-chloro-5-cyclopropyl-4-(2,4-difluorophenyl)-2-ethoxyphenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylic acid
CID 118898078
1-[2-[(3-cyclopropyl-5-ethoxy-4-phenylphenyl)methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylic acid
CID 118897616

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate (CID 118898146) is ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate is CCOC(=O)C1(C)CCN(C2=NOC3(C2)CN(Cc2cc(OCC)c(-c4ccc(F)cc4)cc2C2CC2)C3)CC1.
What is the InChIKey of ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate?
The InChIKey is UKKURIKSIWTDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40FN3O4/c1-4-38-28-16-24(26(22-6-7-22)17-27(28)23-8-10-25(33)11-9-23)19-35-20-32(21-35)18-29(34-40-32)36-14-12-31(3,13-15-36)30(37)39-5-2/h8-11,16-17,22H,4-7,12-15,18-21H2,1-3H3.
What are the key properties of ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate?
ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate has a molecular weight of 549.69 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate is sourced from PubChem (CID 118898146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).