3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid

C15H26N2O4 — CID 82731394

IUPAC3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)N(C)C2CCOC2)C1
InChIInChI=1S/C15H26N2O4/c1-11(8-14(18)19)12-4-3-6-17(9-12)15(20)16(2)13-5-7-21-10-13/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyJBDMLSFHZZWSKL-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.65
Rot. Bonds4

About 3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid

3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid (PubChem CID 82731394) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid
PubChem CID82731394
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)N(C)C2CCOC2)C1
InChIInChI=1S/C15H26N2O4/c1-11(8-14(18)19)12-4-3-6-17(9-12)15(20)16(2)13-5-7-21-10-13/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyJBDMLSFHZZWSKL-UHFFFAOYSA-N
XLogP1.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199957
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid
CID 104855870
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81048210
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-[2-(oxan-2-yl)acetyl]piperidin-3-yl]butanoic acid
CID 81043092
3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81049194
3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046948
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-[(E)-but-2-enoyl]piperidin-3-yl]butanoic acid
CID 81046628
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704

Frequently Asked Questions

What is the IUPAC name of 3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid (CID 82731394) is 3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)N(C)C2CCOC2)C1.
What is the InChIKey of 3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid?
The InChIKey is JBDMLSFHZZWSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11(8-14(18)19)12-4-3-6-17(9-12)15(20)16(2)13-5-7-21-10-13/h11-13H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid?
3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 82731394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).