5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid

C15H28N2O3 — CID 62934557

IUPAC5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCN1CCC(N(C)C(=O)CC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-5-17-8-6-12(7-9-17)16(4)13(18)10-15(2,3)11-14(19)20/h12H,5-11H2,1-4H3,(H,19,20)
InChIKeyBGTXXTNAJWMZRU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.82
Rot. Bonds6

About 5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62934557) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62934557
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCN1CCC(N(C)C(=O)CC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-5-17-8-6-12(7-9-17)16(4)13(18)10-15(2,3)11-14(19)20/h12H,5-11H2,1-4H3,(H,19,20)
InChIKeyBGTXXTNAJWMZRU-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-ethylpiperidin-4-yl)-methylamino]-4-oxobutanoic acid
CID 43578327
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid
CID 61326862
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002549
3-(4-aminocyclohexyl)-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 62782861
1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43578322
N-(1-ethylpiperidin-4-yl)-4-hydroxy-N-methylpentanamide
CID 79192601
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 79303982
3-[methyl-(1-propylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62230268
2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 65297852
3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-4-oxobutanoic acid
CID 64896459
4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 115157304

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 62934557) is 5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid is CCN1CCC(N(C)C(=O)CC(C)(C)CC(=O)O)CC1.
What is the InChIKey of 5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is BGTXXTNAJWMZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-17-8-6-12(7-9-17)16(4)13(18)10-15(2,3)11-14(19)20/h12H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62934557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).