tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate

C16H30N2O3 — CID 124843336

IUPACtert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate
SMILESCC(=O)N(C)C1CCN(C[C@@H](C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-12(15(20)21-16(3,4)5)11-18-9-7-14(8-10-18)17(6)13(2)19/h12,14H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyDNXMXTQBDDVLDI-GFCCVEGCSA-N
MW298.43 g/mol
LogP1.91
Rot. Bonds4

About tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate

tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate (PubChem CID 124843336) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate
PubChem CID124843336
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate
SMILESCC(=O)N(C)C1CCN(C[C@@H](C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-12(15(20)21-16(3,4)5)11-18-9-7-14(8-10-18)17(6)13(2)19/h12,14H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyDNXMXTQBDDVLDI-GFCCVEGCSA-N
XLogP1.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
CID 155739583
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
CID 54290996
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide;methoxymethane
CID 54290995
N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide
CID 111106124
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
CID 95337387
tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
CID 95337386
tert-butyl N-[1-(5-aminopentyl)piperidin-4-yl]-N-methylcarbamate
CID 165368889
tert-butyl 4-[(2S)-3-methoxy-2-methyl-3-oxopropyl]piperazine-1-carboxylate
CID 25418682
tert-butyl 4-(3-ethoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
CID 68759858
N-(1-butylpiperidin-4-yl)-N-methylacetamide
CID 70802066
ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide
CID 163266627

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate?
The IUPAC name of tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate (CID 124843336) is tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate.
What is the SMILES notation for tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate?
The canonical SMILES for tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate is CC(=O)N(C)C1CCN(C[C@@H](C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate?
The InChIKey is DNXMXTQBDDVLDI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(15(20)21-16(3,4)5)11-18-9-7-14(8-10-18)17(6)13(2)19/h12,14H,7-11H2,1-6H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate?
tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate has a molecular weight of 298.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate is sourced from PubChem (CID 124843336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).