ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate

C16H22N2O3 — CID 115280703

IUPACethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)14-8-3-4-9-18(14)11-12-6-5-7-13(10-12)15(17)19/h5-7,10,14H,2-4,8-9,11H2,1H3,(H2,17,19)
InChIKeyNKHKPVOKNXLGJN-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.70
Rot. Bonds5

About ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate

ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate (PubChem CID 115280703) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate
PubChem CID115280703
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)14-8-3-4-9-18(14)11-12-6-5-7-13(10-12)15(17)19/h5-7,10,14H,2-4,8-9,11H2,1H3,(H2,17,19)
InChIKeyNKHKPVOKNXLGJN-UHFFFAOYSA-N
XLogP1.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[(3-carbamoylphenyl)methyl]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-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
ethyl (2R)-1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
CID 765373
ethyl 1-[(3-phenoxyphenyl)methyl]piperidine-2-carboxylate
CID 2838010
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
CID 2838481
ethyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027038
ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate
CID 40633764
ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 7446357
ethyl (2R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 792510
methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027103
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119911778

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate (CID 115280703) is ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1cccc(C(N)=O)c1.
What is the InChIKey of ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate?
The InChIKey is NKHKPVOKNXLGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-16(20)14-8-3-4-9-18(14)11-12-6-5-7-13(10-12)15(17)19/h5-7,10,14H,2-4,8-9,11H2,1H3,(H2,17,19).
What are the key properties of ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate?
ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 115280703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).