3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid

C15H29NO2 — CID 65072281

IUPAC3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid
SMILESCCCCC(CC)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C15H29NO2/c1-3-5-8-14(4-2)16-11-6-7-13(12-16)9-10-15(17)18/h13-14H,3-12H2,1-2H3,(H,17,18)
InChIKeyYURIQMSFHHKQII-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.53
Rot. Bonds8

About 3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid

3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid (PubChem CID 65072281) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid
PubChem CID65072281
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid
SMILESCCCCC(CC)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C15H29NO2/c1-3-5-8-14(4-2)16-11-6-7-13(12-16)9-10-15(17)18/h13-14H,3-12H2,1-2H3,(H,17,18)
InChIKeyYURIQMSFHHKQII-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65071823
3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62199708
1-heptan-3-ylazetidine
CID 172721722
3-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65071978
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
3-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-3-yl]propanoic acid
CID 104654096
3-[1-(4-ethylcyclohexyl)piperidin-3-yl]propanoic acid
CID 64749138
ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate
CID 70373350
3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 120536660
3-[1-[1-(2,4-dimethylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65072129
3-pyrrolidin-1-yldecanoic acid
CID 64526772
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)pentanoic acid
CID 63151670

Frequently Asked Questions

What is the IUPAC name of 3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid?
The IUPAC name of 3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid (CID 65072281) is 3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid?
The canonical SMILES for 3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid is CCCCC(CC)N1CCCC(CCC(=O)O)C1.
What is the InChIKey of 3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid?
The InChIKey is YURIQMSFHHKQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-5-8-14(4-2)16-11-6-7-13(12-16)9-10-15(17)18/h13-14H,3-12H2,1-2H3,(H,17,18).
What are the key properties of 3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid?
3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-heptan-3-ylpiperidin-3-yl)propanoic acid is sourced from PubChem (CID 65072281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).