[4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate

C17H32N2O3 — CID 174784804

IUPAC[4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(CC(N)C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)14(20)13(18)11-12-7-9-19(10-8-12)22-15(21)17(4,5)6/h12-13H,7-11,18H2,1-6H3
InChIKeyLIFXHCYCRROJOD-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.54
Rot. Bonds4

About [4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174784804) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is [4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174784804
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name[4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(CC(N)C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)14(20)13(18)11-12-7-9-19(10-8-12)22-15(21)17(4,5)6/h12-13H,7-11,18H2,1-6H3
InChIKeyLIFXHCYCRROJOD-UHFFFAOYSA-N
XLogP2.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
[4-(3-bromopropyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174448950
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174835809
[4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174503474
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
tert-butyl (2S)-2-amino-3-cyclopropylpropanoate
CID 12018345
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
[4-(naphthalen-1-ylmethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174776993
tert-butyl 4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylate
CID 67861069
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174784804) is [4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(CC(N)C(=O)C(C)(C)C)CC1.
What is the InChIKey of [4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is LIFXHCYCRROJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-16(2,3)14(20)13(18)11-12-7-9-19(10-8-12)22-15(21)17(4,5)6/h12-13H,7-11,18H2,1-6H3.
What are the key properties of [4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 312.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174784804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).