3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid

C16H30N2O3 — CID 81047521

IUPAC3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
SMILESCCC(NC(=O)N1CCCC(C(C)CC(=O)O)C1)C(C)C
InChIInChI=1S/C16H30N2O3/c1-5-14(11(2)3)17-16(21)18-8-6-7-13(10-18)12(4)9-15(19)20/h11-14H,5-10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyKXJFODQVBYKAPK-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.95
Rot. Bonds6

About 3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid

3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid (PubChem CID 81047521) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
PubChem CID81047521
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
SMILESCCC(NC(=O)N1CCCC(C(C)CC(=O)O)C1)C(C)C
InChIInChI=1S/C16H30N2O3/c1-5-14(11(2)3)17-16(21)18-8-6-7-13(10-18)12(4)9-15(19)20/h11-14H,5-10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyKXJFODQVBYKAPK-UHFFFAOYSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046948
3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046077
3-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81049909
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 102699639
3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81048987
3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid
CID 81048995
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
CID 103064197
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid (CID 81047521) is 3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid is CCC(NC(=O)N1CCCC(C(C)CC(=O)O)C1)C(C)C.
What is the InChIKey of 3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid?
The InChIKey is KXJFODQVBYKAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-14(11(2)3)17-16(21)18-8-6-7-13(10-18)12(4)9-15(19)20/h11-14H,5-10H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid?
3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81047521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).