3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid

C14H24N2O4 — CID 62216069

IUPAC3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C14H24N2O4/c17-13(18)2-1-11-3-7-16(8-4-11)14(19)15-12-5-9-20-10-6-12/h11-12H,1-10H2,(H,15,19)(H,17,18)
InChIKeyOWYMNWJNVYWMLV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds4

About 3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid

3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid (PubChem CID 62216069) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid
PubChem CID62216069
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C14H24N2O4/c17-13(18)2-1-11-3-7-16(8-4-11)14(19)15-12-5-9-20-10-6-12/h11-12H,1-10H2,(H,15,19)(H,17,18)
InChIKeyOWYMNWJNVYWMLV-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 128942089
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid
CID 83018960
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
4-(2,2-dimethylpropanoyl)-N-(oxepan-4-yl)piperazine-1-carboxamide
CID 127754010
3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride
CID 67762666
N-cyclopropyl-1,4-oxazepane-4-carboxamide
CID 115597922
4-[(3,5-dichlorophenoxy)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide
CID 126766845
N-(4-ethylcyclohexyl)morpholine-4-carboxamide
CID 115589164
4-cyclopentyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 121184730
4-(acetamidomethyl)-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 103839211
3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid
CID 113465876

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid (CID 62216069) is 3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)NC2CCOCC2)CC1.
What is the InChIKey of 3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid?
The InChIKey is OWYMNWJNVYWMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-13(18)2-1-11-3-7-16(8-4-11)14(19)15-12-5-9-20-10-6-12/h11-12H,1-10H2,(H,15,19)(H,17,18).
What are the key properties of 3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid?
3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62216069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).