tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate

C15H27NO3 — CID 106706964

IUPACtert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate
SMILESCC1CC(C)CN(C(=O)CCC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO3/c1-11-8-12(2)10-16(9-11)13(17)6-7-14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyMNWNNAIMAAGAQG-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.61
Rot. Bonds3

About tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate

tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate (PubChem CID 106706964) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate
PubChem CID106706964
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate
SMILESCC1CC(C)CN(C(=O)CCC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO3/c1-11-8-12(2)10-16(9-11)13(17)6-7-14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyMNWNNAIMAAGAQG-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-oxobutanoate
CID 94020551
tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689282
tert-butyl 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-4-oxobutanoate
CID 130286925
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione
CID 896367
tert-butyl 3-(2,4-dimethylpyrrolidin-1-yl)propanoate
CID 115644999
tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate
CID 106706926
3-chloro-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 40560802
4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-propanoylbutanehydrazide
CID 51362146
tert-butyl 4-[4-(5-hydroxypentyl)piperazin-1-yl]-4-oxobutanoate
CID 126836827
methyl (2S,4S)-4-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]pyrrolidine-2-carboxylate
CID 130286037
5-bromo-1-(3,5-dimethylpiperidin-1-yl)pentan-1-one
CID 107907086
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24697792

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate?
The IUPAC name of tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate (CID 106706964) is tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate is CC1CC(C)CN(C(=O)CCC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate?
The InChIKey is MNWNNAIMAAGAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11-8-12(2)10-16(9-11)13(17)6-7-14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate?
tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate has a molecular weight of 269.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate is sourced from PubChem (CID 106706964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).