ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate

C12H23N3O3 — CID 43312132

IUPACethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(C)C(N)=O)CC1
InChIInChI=1S/C12H23N3O3/c1-3-18-12(17)15-6-4-10(5-7-15)14-8-9(2)11(13)16/h9-10,14H,3-8H2,1-2H3,(H2,13,16)
InChIKeyOQLGFWCNDGOOIV-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.32
Rot. Bonds5

About ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate

ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate (PubChem CID 43312132) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
PubChem CID43312132
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nameethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(C)C(N)=O)CC1
InChIInChI=1S/C12H23N3O3/c1-3-18-12(17)15-6-4-10(5-7-15)14-8-9(2)11(13)16/h9-10,14H,3-8H2,1-2H3,(H2,13,16)
InChIKeyOQLGFWCNDGOOIV-UHFFFAOYSA-N
XLogP0.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
CID 115690872
ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate
CID 66089911
ethyl 4-[(1-amino-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 62899266
ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate
CID 60632844
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
CID 43771292
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
CID 64667745
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 28586131

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate (CID 43312132) is ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(C)C(N)=O)CC1.
What is the InChIKey of ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate?
The InChIKey is OQLGFWCNDGOOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-18-12(17)15-6-4-10(5-7-15)14-8-9(2)11(13)16/h9-10,14H,3-8H2,1-2H3,(H2,13,16).
What are the key properties of ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 43312132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).