2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

C15H28N2O4 — CID 67123498

IUPAC2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)C(N)CC1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-4-20-14(18)13(16)9-12-5-7-17(8-6-12)15(19)21-10-11(2)3/h11-13H,4-10,16H2,1-3H3
InChIKeyGITDFUIZWHPXHS-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.77
Rot. Bonds6

About 2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 67123498) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
PubChem CID67123498
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)C(N)CC1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-4-20-14(18)13(16)9-12-5-7-17(8-6-12)15(19)21-10-11(2)3/h11-13H,4-10,16H2,1-3H3
InChIKeyGITDFUIZWHPXHS-UHFFFAOYSA-N
XLogP1.77
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
ethane;2-methylpropyl 4-[(1-acetylpiperidin-4-yl)methyl]piperidine-1-carboxylate
CID 171073059
ethane;2-methylpropyl 4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxylate
CID 171073017
2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
CID 94340136
2-methylpropyl 3-aminopyrrolidine-1-carboxylate
CID 62067213
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
benzyl 3-(2-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 170885033
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate
CID 93255529
2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 63263913

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate (CID 67123498) is 2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate is CCOC(=O)C(N)CC1CCN(C(=O)OCC(C)C)CC1.
What is the InChIKey of 2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is GITDFUIZWHPXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-20-14(18)13(16)9-12-5-7-17(8-6-12)15(19)21-10-11(2)3/h11-13H,4-10,16H2,1-3H3.
What are the key properties of 2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 67123498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).