ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate

C14H25N3O3 — CID 79162464

IUPACethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(=O)N1CCCC(C)C1
InChIInChI=1S/C14H25N3O3/c1-3-20-13(18)12-9-15-6-8-17(12)14(19)16-7-4-5-11(2)10-16/h11-12,15H,3-10H2,1-2H3
InChIKeyLLIOYMJYNQEUBJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.68
Rot. Bonds2

About ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate

ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate (PubChem CID 79162464) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate
PubChem CID79162464
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(=O)N1CCCC(C)C1
InChIInChI=1S/C14H25N3O3/c1-3-20-13(18)12-9-15-6-8-17(12)14(19)16-7-4-5-11(2)10-16/h11-12,15H,3-10H2,1-2H3
InChIKeyLLIOYMJYNQEUBJ-UHFFFAOYSA-N
XLogP0.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-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

N,N-dimethyl-1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxamide
CID 79163292
ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate
CID 115737538
ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate
CID 107180851
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate
CID 113265828
ethyl 1-hexa-2,4-dienoylpiperazine-2-carboxylate
CID 77074329
ethyl 1-piperidin-4-ylpiperazine-2-carboxylate
CID 141178631
ethyl 1-[(2S)-2-methylpiperazin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 82755269
ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate
CID 114031288
N-ethyl-1-(piperidine-1-carbonyl)piperazine-2-carboxamide
CID 79155644
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 79163563
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79162739

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate?
The IUPAC name of ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate (CID 79162464) is ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate is CCOC(=O)C1CNCCN1C(=O)N1CCCC(C)C1.
What is the InChIKey of ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate?
The InChIKey is LLIOYMJYNQEUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-20-13(18)12-9-15-6-8-17(12)14(19)16-7-4-5-11(2)10-16/h11-12,15H,3-10H2,1-2H3.
What are the key properties of ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate?
ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate is sourced from PubChem (CID 79162464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).