ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate

C18H25NO5 — CID 110763375

IUPACethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(OC)c(C)c2OC)C1
InChIInChI=1S/C18H25NO5/c1-5-24-18(21)13-7-6-10-19(11-13)17(20)14-8-9-15(22-3)12(2)16(14)23-4/h8-9,13H,5-7,10-11H2,1-4H3
InChIKeyUUFVLYNIUBSDTM-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.43
Rot. Bonds5

About ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate

ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate (PubChem CID 110763375) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate
PubChem CID110763375
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nameethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(OC)c(C)c2OC)C1
InChIInChI=1S/C18H25NO5/c1-5-24-18(21)13-7-6-10-19(11-13)17(20)14-8-9-15(22-3)12(2)16(14)23-4/h8-9,13H,5-7,10-11H2,1-4H3
InChIKeyUUFVLYNIUBSDTM-UHFFFAOYSA-N
XLogP2.43
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
ethyl (3R)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338523
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl (3R)-1-(3-chloro-4,5-dimethoxybenzoyl)piperidine-3-carboxylate
CID 30880442
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806504
ethyl 1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxylate
CID 79765192
ethyl 1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 43404470

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate (CID 110763375) is ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccc(OC)c(C)c2OC)C1.
What is the InChIKey of ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate?
The InChIKey is UUFVLYNIUBSDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-5-24-18(21)13-7-6-10-19(11-13)17(20)14-8-9-15(22-3)12(2)16(14)23-4/h8-9,13H,5-7,10-11H2,1-4H3.
What are the key properties of ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate?
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 110763375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).