ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate

C17H23NO3 — CID 2940373

IUPACethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccc(C)cc2)C1
InChIInChI=1S/C17H23NO3/c1-3-21-17(20)15-5-4-10-18(12-15)16(19)11-14-8-6-13(2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyWWTZFCFILGVGIK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.34
Rot. Bonds4

About ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate (PubChem CID 2940373) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
PubChem CID2940373
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccc(C)cc2)C1
InChIInChI=1S/C17H23NO3/c1-3-21-17(20)15-5-4-10-18(12-15)16(19)11-14-8-6-13(2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyWWTZFCFILGVGIK-UHFFFAOYSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
CID 84577392
ethyl (3S)-1-[2-[4-[benzyl(propanoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329378
ethyl (3R)-1-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperidine-3-carboxylate
CID 29436154
ethyl (3R)-1-[2-[4-[(2-methoxyphenyl)methyl-(4-methylbenzoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93291348
ethyl (3S)-1-[2-[4-[benzyl(cyclopentanecarbonyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329381
ethyl 1-[2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
CID 46057071
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate (CID 2940373) is ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cc2ccc(C)cc2)C1.
What is the InChIKey of ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate?
The InChIKey is WWTZFCFILGVGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-21-17(20)15-5-4-10-18(12-15)16(19)11-14-8-6-13(2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 2940373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).