ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate

C19H34N4O4 — CID 113122136

IUPACethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCC(=O)N2CCN(CC)CC2)C(C)=O)CC1
InChIInChI=1S/C19H34N4O4/c1-4-20-12-14-21(15-13-20)18(25)8-11-23(16(3)24)17-6-9-22(10-7-17)19(26)27-5-2/h17H,4-15H2,1-3H3
InChIKeyJJGVYYNZRUWHQS-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.01
Rot. Bonds6

About ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate

ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate (PubChem CID 113122136) has the molecular formula C19H34N4O4 and a molecular weight of 382.51 g/mol. Its IUPAC name is ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
PubChem CID113122136
Molecular FormulaC19H34N4O4
Molecular Weight382.51 g/mol
Exact Mass382.26
IUPAC Nameethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCC(=O)N2CCN(CC)CC2)C(C)=O)CC1
InChIInChI=1S/C19H34N4O4/c1-4-20-12-14-21(15-13-20)18(25)8-11-23(16(3)24)17-6-9-22(10-7-17)19(26)27-5-2/h17H,4-15H2,1-3H3
InChIKeyJJGVYYNZRUWHQS-UHFFFAOYSA-N
XLogP1.01
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate (CID 113122136) is ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CCC(=O)N2CCN(CC)CC2)C(C)=O)CC1.
What is the InChIKey of ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
The InChIKey is JJGVYYNZRUWHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O4/c1-4-20-12-14-21(15-13-20)18(25)8-11-23(16(3)24)17-6-9-22(10-7-17)19(26)27-5-2/h17H,4-15H2,1-3H3.
What are the key properties of ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate has a molecular weight of 382.51 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113122136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).