ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate

C14H27N3O3 — CID 109012603

IUPACethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(=O)NCC(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-4-20-14(19)17-9-7-16(8-10-17)6-5-13(18)15-11-12(2)3/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyZCXSKDDPATWIEW-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.92
Rot. Bonds6

About ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate

ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate (PubChem CID 109012603) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate
PubChem CID109012603
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nameethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(=O)NCC(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-4-20-14(19)17-9-7-16(8-10-17)6-5-13(18)15-11-12(2)3/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyZCXSKDDPATWIEW-UHFFFAOYSA-N
XLogP0.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 51077572
ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate
CID 110625492
ethyl 4-[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108971227
ethyl 4-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]piperazine-1-carboxylate
CID 109029167
propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
CID 115536096
N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide
CID 68721250
ethyl 4-[3-(4-ethoxycarbonylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 109029191
ethyl 4-(5-oxohexyl)piperazine-1-carboxylate
CID 107877302
ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 31692902
ethyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 107877031

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate (CID 109012603) is ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCC(=O)NCC(C)C)CC1.
What is the InChIKey of ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate?
The InChIKey is ZCXSKDDPATWIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-20-14(19)17-9-7-16(8-10-17)6-5-13(18)15-11-12(2)3/h12H,4-11H2,1-3H3,(H,15,18).
What are the key properties of ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate?
ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate is sourced from PubChem (CID 109012603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).