3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid

C14H24N2O5 — CID 62216383

IUPAC3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)NCC1COCCO1
InChIInChI=1S/C14H24N2O5/c17-13(18)5-4-11-3-1-2-6-16(11)14(19)15-9-12-10-20-7-8-21-12/h11-12H,1-10H2,(H,15,19)(H,17,18)
InChIKeyAQQLUARWWJYILB-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.83
Rot. Bonds5

About 3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid

3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid (PubChem CID 62216383) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
PubChem CID62216383
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)NCC1COCCO1
InChIInChI=1S/C14H24N2O5/c17-13(18)5-4-11-3-1-2-6-16(11)14(19)15-9-12-10-20-7-8-21-12/h11-12H,1-10H2,(H,15,19)(H,17,18)
InChIKeyAQQLUARWWJYILB-UHFFFAOYSA-N
XLogP0.83
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62209945
3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63705736
(2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide
CID 99787980
2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 71938909
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
tert-butyl 2-[(1,4-dioxan-2-ylmethylcarbamoylamino)methyl]piperidine-1-carboxylate
CID 71936823
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
1-(1,4-dioxan-2-ylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781928
3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62215893
(2R)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94663416
(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630274

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid (CID 62216383) is 3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)NCC1COCCO1.
What is the InChIKey of 3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
The InChIKey is AQQLUARWWJYILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c17-13(18)5-4-11-3-1-2-6-16(11)14(19)15-9-12-10-20-7-8-21-12/h11-12H,1-10H2,(H,15,19)(H,17,18).
What are the key properties of 3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid has a molecular weight of 300.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62216383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).