ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate

C19H28N2O5 — CID 43057044

IUPACethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)NC(C)c2cc(OC)ccc2OC)C1
InChIInChI=1S/C19H28N2O5/c1-5-26-19(23)21-10-6-7-14(12-21)18(22)20-13(2)16-11-15(24-3)8-9-17(16)25-4/h8-9,11,13-14H,5-7,10,12H2,1-4H3,(H,20,22)
InChIKeyMAYKSGGYBZAFAO-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.75
Rot. Bonds6

About ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate

ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 43057044) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID43057044
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Nameethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)NC(C)c2cc(OC)ccc2OC)C1
InChIInChI=1S/C19H28N2O5/c1-5-26-19(23)21-10-6-7-14(12-21)18(22)20-13(2)16-11-15(24-3)8-9-17(16)25-4/h8-9,11,13-14H,5-7,10,12H2,1-4H3,(H,20,22)
InChIKeyMAYKSGGYBZAFAO-UHFFFAOYSA-N
XLogP2.75
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 51959136
1-(benzenesulfonyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 55650398
(3R)-1-[(2-chlorophenyl)methyl]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 100662416
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 51221677
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 51224634
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
2-cyclohexylsulfanyl-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 60608736
1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 133161823
(3S)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92897080
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide
CID 71845058
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100773907

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate (CID 43057044) is ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)NC(C)c2cc(OC)ccc2OC)C1.
What is the InChIKey of ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is MAYKSGGYBZAFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-5-26-19(23)21-10-6-7-14(12-21)18(22)20-13(2)16-11-15(24-3)8-9-17(16)25-4/h8-9,11,13-14H,5-7,10,12H2,1-4H3,(H,20,22).
What are the key properties of ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate?
ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 43057044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).