ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate

C20H28N2O4 — CID 2957284

IUPACethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate
SMILESCCCCC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)OCC)C2)cc1
InChIInChI=1S/C20H28N2O4/c1-3-5-8-18(23)21-17-11-9-15(10-12-17)19(24)22-13-6-7-16(14-22)20(25)26-4-2/h9-12,16H,3-8,13-14H2,1-2H3,(H,21,23)
InChIKeyDGSGWNOOAZGHGY-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.23
Rot. Bonds7

About ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate

ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate (PubChem CID 2957284) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate
PubChem CID2957284
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Nameethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate
SMILESCCCCC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)OCC)C2)cc1
InChIInChI=1S/C20H28N2O4/c1-3-5-8-18(23)21-17-11-9-15(10-12-17)19(24)22-13-6-7-16(14-22)20(25)26-4-2/h9-12,16H,3-8,13-14H2,1-2H3,(H,21,23)
InChIKeyDGSGWNOOAZGHGY-UHFFFAOYSA-N
XLogP3.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-((2-(1-piperidinyl)acetyl)amino)benzoate
CID 3300
Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-4-piperidinecarboxylate
CID 772564
N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide
CID 2212314
Paridocaine
CID 23551
Ethyl 4-{[2-(acetylamino)phenyl]carbonyl}piperazine-1-carboxylate
CID 742027
4-acetamido-N-(3-methoxypropyl)benzamide
CID 2096192
4-(acetylamino)-N-(3-isopropoxypropyl)benzamide
CID 2228400
Methyl 1-(2-oxo-1,2-dihydroquinoline-4-carbonyl)piperidine-4-carboxylate
CID 2412045
Ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride
CID 2902741
Ethyl 1-[2-(3-acetylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 3535939
[2-(4-Acetamidophenyl)-2-oxoethyl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoate
CID 24820052
Butyl 2-(4-morpholinylcarbonyl)phenylcarbamate
CID 2175702

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate (CID 2957284) is ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate is CCCCC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)OCC)C2)cc1.
What is the InChIKey of ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate?
The InChIKey is DGSGWNOOAZGHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-3-5-8-18(23)21-17-11-9-15(10-12-17)19(24)22-13-6-7-16(14-22)20(25)26-4-2/h9-12,16H,3-8,13-14H2,1-2H3,(H,21,23).
What are the key properties of ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate?
ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate is sourced from PubChem (CID 2957284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).