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

C15H26N2O4 — CID 63705736

IUPAC3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)NCC1CCOCC1
InChIInChI=1S/C15H26N2O4/c18-14(19)5-4-13-3-1-2-8-17(13)15(20)16-11-12-6-9-21-10-7-12/h12-13H,1-11H2,(H,16,20)(H,18,19)
InChIKeyXSGGHJNLUGBPOP-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds5

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

3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid (PubChem CID 63705736) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
PubChem CID63705736
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)NCC1CCOCC1
InChIInChI=1S/C15H26N2O4/c18-14(19)5-4-13-3-1-2-8-17(13)15(20)16-11-12-6-9-21-10-7-12/h12-13H,1-11H2,(H,16,20)(H,18,19)
InChIKeyXSGGHJNLUGBPOP-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62209945
3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62216383
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
(2S)-1-(oxan-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55227623
3-[1-(2-methoxypropylcarbamoyl)piperidin-2-yl]propanoic acid
CID 102699661
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 114943422
(2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide
CID 95155057
3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62211691
3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62980664
3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106404052
3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62215893

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid (CID 63705736) is 3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)NCC1CCOCC1.
What is the InChIKey of 3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
The InChIKey is XSGGHJNLUGBPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-14(19)5-4-13-3-1-2-8-17(13)15(20)16-11-12-6-9-21-10-7-12/h12-13H,1-11H2,(H,16,20)(H,18,19).
What are the key properties of 3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 63705736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).