ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate

C14H25N3O3 — CID 113003662

IUPACethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-3-20-14(19)17-6-4-12(5-7-17)13(18)16-10-8-15(2)9-11-16/h12H,3-11H2,1-2H3
InChIKeyWYPJTINVFBHYFC-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.63
Rot. Bonds2

About ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate

ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 113003662) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate
PubChem CID113003662
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-3-20-14(19)17-6-4-12(5-7-17)13(18)16-10-8-15(2)9-11-16/h12H,3-11H2,1-2H3
InChIKeyWYPJTINVFBHYFC-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate (CID 113003662) is ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is WYPJTINVFBHYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-20-14(19)17-6-4-12(5-7-17)13(18)16-10-8-15(2)9-11-16/h12H,3-11H2,1-2H3.
What are the key properties of ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate?
ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 113003662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).