3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid

C15H28N2O3 — CID 62199708

IUPAC3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
SMILESCCCCC(C)NC(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-3-4-6-12(2)16-15(20)17-10-5-7-13(11-17)8-9-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFWQRNWBYFQXYMY-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds7

About 3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid

3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid (PubChem CID 62199708) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
PubChem CID62199708
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
SMILESCCCCC(C)NC(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-3-4-6-12(2)16-15(20)17-10-5-7-13(11-17)8-9-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFWQRNWBYFQXYMY-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[1-(dimethylamino)propan-2-ylcarbamoyl]piperidin-3-yl]propanoic acid
CID 82938050
3-[1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 64643622
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
3-[1-(hex-1-yn-3-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 106232462
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661
3-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-3-yl]propanoic acid
CID 106283258
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
3-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 63959654
3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid
CID 65072281
3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 55071819

Frequently Asked Questions

What is the IUPAC name of 3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid (CID 62199708) is 3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid is CCCCC(C)NC(=O)N1CCCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid?
The InChIKey is FWQRNWBYFQXYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-4-6-12(2)16-15(20)17-10-5-7-13(11-17)8-9-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid?
3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 62199708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).