ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate

C17H31N3O3 — CID 53384144

IUPACethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(C(=O)NC2CCCC2)C(C)C)CC1
InChIInChI=1S/C17H31N3O3/c1-4-23-17(22)20-11-9-19(10-12-20)15(13(2)3)16(21)18-14-7-5-6-8-14/h13-15H,4-12H2,1-3H3,(H,18,21)
InChIKeyCFZQZYJEADPAPA-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.84
Rot. Bonds5

About ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate

ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate (PubChem CID 53384144) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate
PubChem CID53384144
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Nameethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(C(=O)NC2CCCC2)C(C)C)CC1
InChIInChI=1S/C17H31N3O3/c1-4-23-17(22)20-11-9-19(10-12-20)15(13(2)3)16(21)18-14-7-5-6-8-14/h13-15H,4-12H2,1-3H3,(H,18,21)
InChIKeyCFZQZYJEADPAPA-UHFFFAOYSA-N
XLogP1.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate (CID 53384144) is ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(C(=O)NC2CCCC2)C(C)C)CC1.
What is the InChIKey of ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate?
The InChIKey is CFZQZYJEADPAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-4-23-17(22)20-11-9-19(10-12-20)15(13(2)3)16(21)18-14-7-5-6-8-14/h13-15H,4-12H2,1-3H3,(H,18,21).
What are the key properties of ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate?
ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate has a molecular weight of 325.45 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 53384144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).