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

C13H23N3O3 — CID 51077572

IUPACethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C13H23N3O3/c1-2-19-13(18)16-9-7-15(8-10-16)6-5-12(17)14-11-3-4-11/h11H,2-10H2,1H3,(H,14,17)
InChIKeyNQXRUVRATOUCNC-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.43
Rot. Bonds5

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

ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate (PubChem CID 51077572) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
PubChem CID51077572
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nameethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C13H23N3O3/c1-2-19-13(18)16-9-7-15(8-10-16)6-5-12(17)14-11-3-4-11/h11H,2-10H2,1H3,(H,14,17)
InChIKeyNQXRUVRATOUCNC-UHFFFAOYSA-N
XLogP0.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate
CID 109017978
ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 31692902
ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941022
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012603
N-cyclopropyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109011725
ethyl 4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108944536
2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid
CID 62626328
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854650
3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 55201788

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate (CID 51077572) is ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCC(=O)NC2CC2)CC1.
What is the InChIKey of ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate?
The InChIKey is NQXRUVRATOUCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-19-13(18)16-9-7-15(8-10-16)6-5-12(17)14-11-3-4-11/h11H,2-10H2,1H3,(H,14,17).
What are the key properties of ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate?
ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate is sourced from PubChem (CID 51077572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).