3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid

C15H26N2O4 — CID 62209945

IUPAC3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)NCC1CCCCO1
InChIInChI=1S/C15H26N2O4/c18-14(19)8-7-12-5-1-3-9-17(12)15(20)16-11-13-6-2-4-10-21-13/h12-13H,1-11H2,(H,16,20)(H,18,19)
InChIKeyUHZBYXSLORKVNY-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.98
Rot. Bonds5

About 3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid

3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid (PubChem CID 62209945) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
PubChem CID62209945
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)NCC1CCCCO1
InChIInChI=1S/C15H26N2O4/c18-14(19)8-7-12-5-1-3-9-17(12)15(20)16-11-13-6-2-4-10-21-13/h12-13H,1-11H2,(H,16,20)(H,18,19)
InChIKeyUHZBYXSLORKVNY-UHFFFAOYSA-N
XLogP1.98
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62216383
3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63705736
3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 62217111
3-[(2S)-1-[2-[(2S)-oxolan-2-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124512417
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid
CID 62217275
3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62215893
3-[1-(2-methoxypropylcarbamoyl)piperidin-2-yl]propanoic acid
CID 102699661
6-(oxan-2-ylmethylamino)-6-oxohexanoic acid
CID 55014045
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62211691
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 114943422

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid (CID 62209945) is 3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)NCC1CCCCO1.
What is the InChIKey of 3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
The InChIKey is UHZBYXSLORKVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-14(19)8-7-12-5-1-3-9-17(12)15(20)16-11-13-6-2-4-10-21-13/h12-13H,1-11H2,(H,16,20)(H,18,19).
What are the key properties of 3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62209945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).