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

C19H32N4O5 — CID 113122138

IUPACethyl 4-[acetyl-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCC(=O)N2CCN(C(C)=O)CC2)C(C)=O)CC1
InChIInChI=1S/C19H32N4O5/c1-4-28-19(27)22-8-5-17(6-9-22)23(16(3)25)10-7-18(26)21-13-11-20(12-14-21)15(2)24/h17H,4-14H2,1-3H3
InChIKeyZQJQSWSCTRBPFB-UHFFFAOYSA-N
MW396.49 g/mol
LogP0.54
Rot. Bonds5

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

ethyl 4-[acetyl-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate (PubChem CID 113122138) has the molecular formula C19H32N4O5 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl 4-[acetyl-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[acetyl-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
PubChem CID113122138
Molecular FormulaC19H32N4O5
Molecular Weight396.49 g/mol
Exact Mass396.24
IUPAC Nameethyl 4-[acetyl-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCC(=O)N2CCN(C(C)=O)CC2)C(C)=O)CC1
InChIInChI=1S/C19H32N4O5/c1-4-28-19(27)22-8-5-17(6-9-22)23(16(3)25)10-7-18(26)21-13-11-20(12-14-21)15(2)24/h17H,4-14H2,1-3H3
InChIKeyZQJQSWSCTRBPFB-UHFFFAOYSA-N
XLogP0.54
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 50.54
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-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[acetyl-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate (CID 113122138) is ethyl 4-[acetyl-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[acetyl-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[acetyl-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CCC(=O)N2CCN(C(C)=O)CC2)C(C)=O)CC1.
What is the InChIKey of ethyl 4-[acetyl-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
The InChIKey is ZQJQSWSCTRBPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O5/c1-4-28-19(27)22-8-5-17(6-9-22)23(16(3)25)10-7-18(26)21-13-11-20(12-14-21)15(2)24/h17H,4-14H2,1-3H3.
What are the key properties of ethyl 4-[acetyl-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
ethyl 4-[acetyl-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 0.54, 5 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-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113122138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).