4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

C16H29NO3 — CID 63160617

IUPAC4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCC1(C)CCN(C(=O)CC(C)(C(=O)O)C(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-6-15(4)7-9-17(10-8-15)13(18)11-16(5,12(2)3)14(19)20/h12H,6-11H2,1-5H3,(H,19,20)
InChIKeyCYCJXYBWRGCNLC-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.16
Rot. Bonds5

About 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 63160617) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID63160617
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCC1(C)CCN(C(=O)CC(C)(C(=O)O)C(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-6-15(4)7-9-17(10-8-15)13(18)11-16(5,12(2)3)14(19)20/h12H,6-11H2,1-5H3,(H,19,20)
InChIKeyCYCJXYBWRGCNLC-UHFFFAOYSA-N
XLogP3.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid
CID 43437317
4-(1,4-diazepan-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61405418
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 107214384
1-(4-ethyl-4-methylpiperidin-1-yl)butane-1,3-dione
CID 63163386
4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498360
2-chloro-1-(4-ethyl-4-methylpiperidin-1-yl)propan-1-one
CID 63158562
1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone
CID 63159977
3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65263677
5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 82852140
N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
CID 115695093
1-(4-ethyl-4-methylpiperidin-1-yl)-2-methoxypropan-1-one
CID 112688285
4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 64569235

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (CID 63160617) is 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is CCC1(C)CCN(C(=O)CC(C)(C(=O)O)C(C)C)CC1.
What is the InChIKey of 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is CYCJXYBWRGCNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-6-15(4)7-9-17(10-8-15)13(18)11-16(5,12(2)3)14(19)20/h12H,6-11H2,1-5H3,(H,19,20).
What are the key properties of 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 63160617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).