ethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate

C14H25N3O3 — CID 784120

IUPACethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-3-20-14(19)17-6-4-13(5-7-17)16-10-8-15(9-11-16)12(2)18/h13H,3-11H2,1-2H3
InChIKeyTVQCGRMMRKYOFC-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.77
Rot. Bonds2

About ethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate

ethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate (PubChem CID 784120) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate
PubChem CID784120
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-3-20-14(19)17-6-4-13(5-7-17)16-10-8-15(9-11-16)12(2)18/h13H,3-11H2,1-2H3
InChIKeyTVQCGRMMRKYOFC-UHFFFAOYSA-N
XLogP0.77
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate (CID 784120) is ethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of ethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate?
The InChIKey is TVQCGRMMRKYOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-20-14(19)17-6-4-13(5-7-17)16-10-8-15(9-11-16)12(2)18/h13H,3-11H2,1-2H3.
What are the key properties of ethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate?
ethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-acetylpiperazin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 784120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).