ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate

C24H29NO3 — CID 26411542

IUPACethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCN(Cc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C24H29NO3/c1-3-28-23(27)24(17-20-8-5-4-6-9-20)12-14-25(15-13-24)18-21-10-7-11-22(16-21)19(2)26/h4-11,16H,3,12-15,17-18H2,1-2H3
InChIKeyQYHYUIPEXGFEOH-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.28
Rot. Bonds7

About ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate

ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate (PubChem CID 26411542) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate
PubChem CID26411542
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Nameethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCN(Cc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C24H29NO3/c1-3-28-23(27)24(17-20-8-5-4-6-9-20)12-14-25(15-13-24)18-21-10-7-11-22(16-21)19(2)26/h4-11,16H,3,12-15,17-18H2,1-2H3
InChIKeyQYHYUIPEXGFEOH-UHFFFAOYSA-N
XLogP4.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-benzyl-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxylate
CID 42593773
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CID 12619318
ethyl 4-[(3-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxylate
CID 42193901
ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 59511336
ethyl 1-(naphthalen-2-ylmethyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 10024006
ethyl 1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylate
CID 54443836
ethyl 1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 25446091
3-[[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122033905
ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate
CID 25455542
ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
CID 3044661
ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59218761
ethyl 4-[(4-chlorophenyl)methyl]-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-4-carboxylate
CID 25452013

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate (CID 26411542) is ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate is CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cccc(C(C)=O)c2)CC1.
What is the InChIKey of ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate?
The InChIKey is QYHYUIPEXGFEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-3-28-23(27)24(17-20-8-5-4-6-9-20)12-14-25(15-13-24)18-21-10-7-11-22(16-21)19(2)26/h4-11,16H,3,12-15,17-18H2,1-2H3.
What are the key properties of ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate?
ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate is sourced from PubChem (CID 26411542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).