methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate

C19H26N2O5 — CID 8741640

IUPACmethyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate
SMILESCCCOC(=O)c1ccc(NC(=O)CN2CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C19H26N2O5/c1-3-12-26-19(24)14-4-6-16(7-5-14)20-17(22)13-21-10-8-15(9-11-21)18(23)25-2/h4-7,15H,3,8-13H2,1-2H3,(H,20,22)
InChIKeyVXHJHVPVNIEDQU-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.08
Rot. Bonds7

About methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate

methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate (PubChem CID 8741640) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate
PubChem CID8741640
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namemethyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate
SMILESCCCOC(=O)c1ccc(NC(=O)CN2CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C19H26N2O5/c1-3-12-26-19(24)14-4-6-16(7-5-14)20-17(22)13-21-10-8-15(9-11-21)18(23)25-2/h4-7,15H,3,8-13H2,1-2H3,(H,20,22)
InChIKeyVXHJHVPVNIEDQU-UHFFFAOYSA-N
XLogP2.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

butyl 4-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carbonyl]amino]benzoate
CID 16909723
methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742171
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
CID 8591015
ethyl 1-[2-[4-(butanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54837939
ethyl 1-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54840557
ethyl 1-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931262
methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416
butyl 4-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]benzoate
CID 8904442
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860
ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate
CID 22198151
methyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47286802
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711351

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate (CID 8741640) is methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate is CCCOC(=O)c1ccc(NC(=O)CN2CCC(C(=O)OC)CC2)cc1.
What is the InChIKey of methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate?
The InChIKey is VXHJHVPVNIEDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-3-12-26-19(24)14-4-6-16(7-5-14)20-17(22)13-21-10-8-15(9-11-21)18(23)25-2/h4-7,15H,3,8-13H2,1-2H3,(H,20,22).
What are the key properties of methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate?
methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8741640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).