ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate

C20H31N3O4 — CID 109025237

IUPACethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCC(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C20H31N3O4/c1-3-27-20(25)23-14-10-17(11-15-23)21-13-9-19(24)22-12-8-16-6-4-5-7-18(16)26-2/h4-7,17,21H,3,8-15H2,1-2H3,(H,22,24)
InChIKeyOPCVDTATLJXRQG-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.95
Rot. Bonds9

About ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate (PubChem CID 109025237) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
PubChem CID109025237
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Nameethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCC(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C20H31N3O4/c1-3-27-20(25)23-14-10-17(11-15-23)21-13-9-19(24)22-12-8-16-6-4-5-7-18(16)26-2/h4-7,17,21H,3,8-15H2,1-2H3,(H,22,24)
InChIKeyOPCVDTATLJXRQG-UHFFFAOYSA-N
XLogP1.95
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
CID 23768743
ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate
CID 110625494
3-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025229
ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028940
ethyl 4-[2-[2-(2-methoxyphenyl)ethylamino]acetyl]piperazine-1-carboxylate
CID 109000609
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
ethyl 1-[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156073
ethyl 4-[2-[(2-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 25010852
ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028976
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate (CID 109025237) is ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCC(=O)NCCc2ccccc2OC)CC1.
What is the InChIKey of ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate?
The InChIKey is OPCVDTATLJXRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-3-27-20(25)23-14-10-17(11-15-23)21-13-9-19(24)22-12-8-16-6-4-5-7-18(16)26-2/h4-7,17,21H,3,8-15H2,1-2H3,(H,22,24).
What are the key properties of ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate has a molecular weight of 377.49 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109025237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).