ethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride

C12H24ClN3O3 — CID 42948707

IUPACethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCC(NC(=O)CCCN)CC1.Cl
InChIInChI=1S/C12H23N3O3.ClH/c1-2-18-12(17)15-8-5-10(6-9-15)14-11(16)4-3-7-13;/h10H,2-9,13H2,1H3,(H,14,16);1H
InChIKeyHAZGOPHPXGZHEN-UHFFFAOYSA-N
MW293.80 g/mol
LogP0.88
Rot. Bonds5

About ethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride

ethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride (PubChem CID 42948707) has the molecular formula C12H24ClN3O3 and a molecular weight of 293.80 g/mol. Its IUPAC name is ethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride
PubChem CID42948707
Molecular FormulaC12H24ClN3O3
Molecular Weight293.80 g/mol
Exact Mass293.15
IUPAC Nameethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCC(NC(=O)CCCN)CC1.Cl
InChIInChI=1S/C12H23N3O3.ClH/c1-2-18-12(17)15-8-5-10(6-9-15)14-11(16)4-3-7-13;/h10H,2-9,13H2,1H3,(H,14,16);1H
InChIKeyHAZGOPHPXGZHEN-UHFFFAOYSA-N
XLogP0.88
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride (CID 42948707) is ethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride is CCOC(=O)N1CCC(NC(=O)CCCN)CC1.Cl.
What is the InChIKey of ethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride?
The InChIKey is HAZGOPHPXGZHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3.ClH/c1-2-18-12(17)15-8-5-10(6-9-15)14-11(16)4-3-7-13;/h10H,2-9,13H2,1H3,(H,14,16);1H.
What are the key properties of ethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride?
ethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-aminobutanoylamino)piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 42948707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).