methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate

C16H21NO3 — CID 43404824

IUPACmethyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C16H21NO3/c1-11-4-5-12(2)14(10-11)15(18)17-8-6-13(7-9-17)16(19)20-3/h4-5,10,13H,6-9H2,1-3H3
InChIKeyRPXQQBSGOCGRMC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.33
Rot. Bonds2

About methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate

methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate (PubChem CID 43404824) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
PubChem CID43404824
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C16H21NO3/c1-11-4-5-12(2)14(10-11)15(18)17-8-6-13(7-9-17)16(19)20-3/h4-5,10,13H,6-9H2,1-3H3
InChIKeyRPXQQBSGOCGRMC-UHFFFAOYSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
CID 51284162
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
methyl 1-(5-amino-2,4-dimethylbenzoyl)piperidine-4-carboxylate
CID 102705142
(2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916408
methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
CID 80719245
1-(2,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064705
(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 136536266
methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
methyl 1-[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidine-4-carboxylate
CID 51153841
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate (CID 43404824) is methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc(C)ccc2C)CC1.
What is the InChIKey of methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate?
The InChIKey is RPXQQBSGOCGRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-4-5-12(2)14(10-11)15(18)17-8-6-13(7-9-17)16(19)20-3/h4-5,10,13H,6-9H2,1-3H3.
What are the key properties of methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate?
methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 43404824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).