butyl 4-acetyl-2-ethylpiperazine-1-carboxylate

C13H24N2O3 — CID 134363066

IUPACbutyl 4-acetyl-2-ethylpiperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCN(C(C)=O)CC1CC
InChIInChI=1S/C13H24N2O3/c1-4-6-9-18-13(17)15-8-7-14(11(3)16)10-12(15)5-2/h12H,4-10H2,1-3H3
InChIKeyISPUNSZPVKAJJI-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.87
Rot. Bonds4

About butyl 4-acetyl-2-ethylpiperazine-1-carboxylate

butyl 4-acetyl-2-ethylpiperazine-1-carboxylate (PubChem CID 134363066) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is butyl 4-acetyl-2-ethylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-acetyl-2-ethylpiperazine-1-carboxylate
PubChem CID134363066
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namebutyl 4-acetyl-2-ethylpiperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCN(C(C)=O)CC1CC
InChIInChI=1S/C13H24N2O3/c1-4-6-9-18-13(17)15-8-7-14(11(3)16)10-12(15)5-2/h12H,4-10H2,1-3H3
InChIKeyISPUNSZPVKAJJI-UHFFFAOYSA-N
XLogP1.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Dimethylamino)butyl piperidine-1-carboxylate
CID 44589438
1,4-Piperazinedicarboxylic acid, 2-methyl-, diethyl ester
CID 95589
Ethyl 4-(butan-2-yl)piperazine-1-carboxylate
CID 115502
Ethyl 4-butylpiperazine-1-carboxylate
CID 116092
1-Piperazinecarboxylic acid, 4-propyl-, ethyl ester, hydrochloride
CID 116098
1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester
CID 222933
1-Piperazinecarboxylic acid, 4-isopropyl-, ethyl ester, hydrochloride
CID 116095
1-Piperazinecarboxylic acid, 4-(2-(dimethylamino)-1-methylethyl)-, ethyl ester, hydrochloride
CID 212471
1-Piperazinecarboxylic acid, 4-(2-(dibutylamino)-1-methylethyl)-, ethyl ester, hydrochloride
CID 212473
2-fluoroethyl (3S,5R)-4-ethyl-3,5-dimethylpiperazine-1-carboxylate
CID 132313021
Ethyl 4-(propan-2-yl)piperazine-1-carboxylate
CID 116096
Ethyl 4-propylpiperazine-1-carboxylate
CID 116099

Frequently Asked Questions

What is the IUPAC name of butyl 4-acetyl-2-ethylpiperazine-1-carboxylate?
The IUPAC name of butyl 4-acetyl-2-ethylpiperazine-1-carboxylate (CID 134363066) is butyl 4-acetyl-2-ethylpiperazine-1-carboxylate.
What is the SMILES notation for butyl 4-acetyl-2-ethylpiperazine-1-carboxylate?
The canonical SMILES for butyl 4-acetyl-2-ethylpiperazine-1-carboxylate is CCCCOC(=O)N1CCN(C(C)=O)CC1CC.
What is the InChIKey of butyl 4-acetyl-2-ethylpiperazine-1-carboxylate?
The InChIKey is ISPUNSZPVKAJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-6-9-18-13(17)15-8-7-14(11(3)16)10-12(15)5-2/h12H,4-10H2,1-3H3.
What are the key properties of butyl 4-acetyl-2-ethylpiperazine-1-carboxylate?
butyl 4-acetyl-2-ethylpiperazine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-acetyl-2-ethylpiperazine-1-carboxylate is sourced from PubChem (CID 134363066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).