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

C18H25NO3 — CID 99705064

IUPACethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2ccc(CC)cc2)CC1
InChIInChI=1S/C18H25NO3/c1-3-14-5-7-15(8-6-14)13-17(20)19-11-9-16(10-12-19)18(21)22-4-2/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyPXJRBDNBTLESIK-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.59
Rot. Bonds5

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

ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate (PubChem CID 99705064) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
PubChem CID99705064
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nameethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2ccc(CC)cc2)CC1
InChIInChI=1S/C18H25NO3/c1-3-14-5-7-15(8-6-14)13-17(20)19-11-9-16(10-12-19)18(21)22-4-2/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyPXJRBDNBTLESIK-UHFFFAOYSA-N
XLogP2.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-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-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate
CID 99623799
ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 1080789
ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate
CID 23769142
ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate
CID 110772416
ethyl 1-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate
CID 4269338
ethyl 1-[3-(4-iodophenyl)propanoyl]piperidine-4-carboxylate
CID 71514462
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate
CID 31763477
ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate
CID 46046679

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate (CID 99705064) is ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cc2ccc(CC)cc2)CC1.
What is the InChIKey of ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate?
The InChIKey is PXJRBDNBTLESIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-14-5-7-15(8-6-14)13-17(20)19-11-9-16(10-12-19)18(21)22-4-2/h5-8,16H,3-4,9-13H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 99705064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).