ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate

C19H29N3O4 — CID 109029167

IUPACethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(=O)Nc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O4/c1-4-25-19(24)22-13-11-21(12-14-22)10-9-18(23)20-16-5-7-17(8-6-16)26-15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,20,23)
InChIKeyZILCQPIQTNCQDK-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.58
Rot. Bonds7

About ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate

ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate (PubChem CID 109029167) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate
PubChem CID109029167
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nameethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(=O)Nc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O4/c1-4-25-19(24)22-13-11-21(12-14-22)10-9-18(23)20-16-5-7-17(8-6-16)26-15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,20,23)
InChIKeyZILCQPIQTNCQDK-UHFFFAOYSA-N
XLogP2.58
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109017718
ethyl 4-[3-(4-ethoxycarbonylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 109029191
ethyl 4-[3-(4-cyanoanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 33406443
ethyl 4-[3-oxo-3-(4-piperidin-1-ylanilino)propyl]piperazine-1-carboxylate
CID 109029182
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
ethyl 4-[3-(4-methylpiperazin-1-yl)propanoylamino]benzoate
CID 109017437
ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
CID 44828363
ethyl 4-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 24588656
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethyl 4-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]piperazine-1-carboxylate
CID 8932058
ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012603

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate (CID 109029167) is ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCC(=O)Nc2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate?
The InChIKey is ZILCQPIQTNCQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-4-25-19(24)22-13-11-21(12-14-22)10-9-18(23)20-16-5-7-17(8-6-16)26-15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,20,23).
What are the key properties of ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate?
ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate is sourced from PubChem (CID 109029167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).