ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate

C17H22N2O5 — CID 3362158

IUPACethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C17H22N2O5/c1-3-24-16(21)14-10-6-7-11-19(14)17(22)18-13-9-5-4-8-12(13)15(20)23-2/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3,(H,18,22)
InChIKeyBLUJHPIJZXVCFM-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.42
Rot. Bonds4

About ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate

ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate (PubChem CID 3362158) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate
PubChem CID3362158
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Nameethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C17H22N2O5/c1-3-24-16(21)14-10-6-7-11-19(14)17(22)18-13-9-5-4-8-12(13)15(20)23-2/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3,(H,18,22)
InChIKeyBLUJHPIJZXVCFM-UHFFFAOYSA-N
XLogP2.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-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-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate
CID 55400114
ethyl 3-[1-[(2-methoxycarbonylphenyl)carbamoyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3811122
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate
CID 134209619
methyl 2-[(2-ethoxycarbonylanilino)carbamoyl]pyrrolidine-1-carboxylate
CID 134209965
ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104471
ethyl 1-[(4-chloro-5-ethoxycarbonyl-2-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylate
CID 15589898
ethyl 2-[[1-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108980112
ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate
CID 168891072
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
ethyl (3S)-1-[2-(2-methoxycarbonylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8532996
ethyl 1-(3-phenylprop-2-ynoyl)piperidine-2-carboxylate
CID 79490156

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate (CID 3362158) is ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate?
The InChIKey is BLUJHPIJZXVCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-3-24-16(21)14-10-6-7-11-19(14)17(22)18-13-9-5-4-8-12(13)15(20)23-2/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3,(H,18,22).
What are the key properties of ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate?
ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate has a molecular weight of 334.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate is sourced from PubChem (CID 3362158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).