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

C17H23NO3 — CID 81338801

IUPACethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(C)c2)C1
InChIInChI=1S/C17H23NO3/c1-3-21-17(20)15-8-5-9-18(12-15)16(19)11-14-7-4-6-13(2)10-14/h4,6-7,10,15H,3,5,8-9,11-12H2,1-2H3/t15-/m1/s1
InChIKeyYHJDIYJQVXOZSB-OAHLLOKOSA-N
MW289.38 g/mol
LogP2.34
Rot. Bonds4

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

ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate (PubChem CID 81338801) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
PubChem CID81338801
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(C)c2)C1
InChIInChI=1S/C17H23NO3/c1-3-21-17(20)15-8-5-9-18(12-15)16(19)11-14-7-4-6-13(2)10-14/h4,6-7,10,15H,3,5,8-9,11-12H2,1-2H3/t15-/m1/s1
InChIKeyYHJDIYJQVXOZSB-OAHLLOKOSA-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

ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
CID 46046884
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 55220165
ethyl 1-[2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
CID 46057071
ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
CID 84577392
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate
CID 30283843
ethyl (3S)-1-[(3-methylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 7943280
methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate (CID 81338801) is ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(C)c2)C1.
What is the InChIKey of ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate?
The InChIKey is YHJDIYJQVXOZSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-21-17(20)15-8-5-9-18(12-15)16(19)11-14-7-4-6-13(2)10-14/h4,6-7,10,15H,3,5,8-9,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-(3-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 (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 81338801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).