ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate

C17H23NO3 — CID 110394203

IUPACethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H23NO3/c1-4-21-17(20)18-9-7-14(8-10-18)16(19)15-6-5-12(2)13(3)11-15/h5-6,11,14H,4,7-10H2,1-3H3
InChIKeyVYVXMPZBYXNCGP-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.35
Rot. Bonds3

About ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate

ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate (PubChem CID 110394203) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate
PubChem CID110394203
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H23NO3/c1-4-21-17(20)18-9-7-14(8-10-18)16(19)15-6-5-12(2)13(3)11-15/h5-6,11,14H,4,7-10H2,1-3H3
InChIKeyVYVXMPZBYXNCGP-UHFFFAOYSA-N
XLogP3.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074667
ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate
CID 71226501
(3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 110394194
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 2-[4-(3,4-dihydroxybenzoyl)piperidin-1-yl]acetate
CID 71236046
ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate
CID 47906995
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
(3,4-dimethylphenyl)-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 110394212
[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 110394232
ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 17459653

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate (CID 110394203) is ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate?
The InChIKey is VYVXMPZBYXNCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-21-17(20)18-9-7-14(8-10-18)16(19)15-6-5-12(2)13(3)11-15/h5-6,11,14H,4,7-10H2,1-3H3.
What are the key properties of ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate?
ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate is sourced from PubChem (CID 110394203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).