ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate

C20H28N2O5 — CID 23723203

IUPACethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(C(=O)c2cc(C)c(OC)c(C)c2)C1
InChIInChI=1S/C20H28N2O5/c1-5-27-17(23)11-21-20(25)22-8-6-7-15(12-22)18(24)16-9-13(2)19(26-4)14(3)10-16/h9-10,15H,5-8,11-12H2,1-4H3,(H,21,25)
InChIKeyRTILISPBYAOHCI-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.48
Rot. Bonds6

About ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate

ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate (PubChem CID 23723203) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate
PubChem CID23723203
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nameethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(C(=O)c2cc(C)c(OC)c(C)c2)C1
InChIInChI=1S/C20H28N2O5/c1-5-27-17(23)11-21-20(25)22-8-6-7-15(12-22)18(24)16-9-13(2)19(26-4)14(3)10-16/h9-10,15H,5-8,11-12H2,1-4H3,(H,21,25)
InChIKeyRTILISPBYAOHCI-UHFFFAOYSA-N
XLogP2.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[3-(4-methoxy-2-methylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 45172649
ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate
CID 45232941
ethyl 2-[[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]amino]acetate
CID 25377875
ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 26406608
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 25279925
ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate
CID 45212076
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]methanone
CID 95726966
(4-methoxy-3,5-dimethylphenyl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 24793854
5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one
CID 95719495
[1-[4-(dimethylamino)benzoyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45199439
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 45178325

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate (CID 23723203) is ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCCC(C(=O)c2cc(C)c(OC)c(C)c2)C1.
What is the InChIKey of ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate?
The InChIKey is RTILISPBYAOHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-5-27-17(23)11-21-20(25)22-8-6-7-15(12-22)18(24)16-9-13(2)19(26-4)14(3)10-16/h9-10,15H,5-8,11-12H2,1-4H3,(H,21,25).
What are the key properties of ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate has a molecular weight of 376.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 23723203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).