3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid

C15H28N2O3 — CID 62935444

IUPAC3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid
SMILESCCCN(C(=O)CC(C)(C)CC(=O)O)C1CCNCC1
InChIInChI=1S/C15H28N2O3/c1-4-9-17(12-5-7-16-8-6-12)13(18)10-15(2,3)11-14(19)20/h12,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyTUZDZIPXPPISLJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.87
Rot. Bonds7

About 3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid

3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid (PubChem CID 62935444) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid
PubChem CID62935444
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid
SMILESCCCN(C(=O)CC(C)(C)CC(=O)O)C1CCNCC1
InChIInChI=1S/C15H28N2O3/c1-4-9-17(12-5-7-16-8-6-12)13(18)10-15(2,3)11-14(19)20/h12,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyTUZDZIPXPPISLJ-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824721
3-methyl-3-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 64700277
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide
CID 119825434
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825433
N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide
CID 58376768
N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
CID 119823659
3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532226
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299800
2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408503
3-ethyl-N-piperidin-4-yl-N-propylpentanamide;hydrochloride
CID 119824289
2-methyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 60806583

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid?
The IUPAC name of 3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid (CID 62935444) is 3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid is CCCN(C(=O)CC(C)(C)CC(=O)O)C1CCNCC1.
What is the InChIKey of 3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid?
The InChIKey is TUZDZIPXPPISLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-9-17(12-5-7-16-8-6-12)13(18)10-15(2,3)11-14(19)20/h12,16H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid?
3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid is sourced from PubChem (CID 62935444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).