ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate

C23H29ClN2O4 — CID 25308162

IUPACethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)CCc2c(C)noc2C)CC1
InChIInChI=1S/C23H29ClN2O4/c1-4-29-22(28)23(15-18-7-5-6-8-20(18)24)11-13-26(14-12-23)21(27)10-9-19-16(2)25-30-17(19)3/h5-8H,4,9-15H2,1-3H3
InChIKeyVGJWEOKNDFREAO-UHFFFAOYSA-N
MW432.95 g/mol
LogP4.29
Rot. Bonds7

About ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate

ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate (PubChem CID 25308162) has the molecular formula C23H29ClN2O4 and a molecular weight of 432.95 g/mol. Its IUPAC name is ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate
PubChem CID25308162
Molecular FormulaC23H29ClN2O4
Molecular Weight432.95 g/mol
Exact Mass432.18
IUPAC Nameethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)CCc2c(C)noc2C)CC1
InChIInChI=1S/C23H29ClN2O4/c1-4-29-22(28)23(15-18-7-5-6-8-20(18)24)11-13-26(14-12-23)21(27)10-9-19-16(2)25-30-17(19)3/h5-8H,4,9-15H2,1-3H3
InChIKeyVGJWEOKNDFREAO-UHFFFAOYSA-N
XLogP4.29
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 74249946
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 70776664
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 95281367
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride
CID 120739649
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 8639300
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 56908437
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 95723108
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 78792622
(2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 99953645
ethyl 1-[(2,6-dichlorophenyl)methyl]cyclopropane-1-carboxylate
CID 125471436

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate (CID 25308162) is ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)CCc2c(C)noc2C)CC1.
What is the InChIKey of ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate?
The InChIKey is VGJWEOKNDFREAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4/c1-4-29-22(28)23(15-18-7-5-6-8-20(18)24)11-13-26(14-12-23)21(27)10-9-19-16(2)25-30-17(19)3/h5-8H,4,9-15H2,1-3H3.
What are the key properties of ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate?
ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate has a molecular weight of 432.95 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 25308162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).