1-hexanoyl-4-propylpiperidine-4-carboxylic acid

C15H27NO3 — CID 55178926

IUPAC1-hexanoyl-4-propylpiperidine-4-carboxylic acid
SMILESCCCCCC(=O)N1CCC(CCC)(C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-3-5-6-7-13(17)16-11-9-15(8-4-2,10-12-16)14(18)19/h3-12H2,1-2H3,(H,18,19)
InChIKeyASRBERQFFJQIIC-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.06
Rot. Bonds7

About 1-hexanoyl-4-propylpiperidine-4-carboxylic acid

1-hexanoyl-4-propylpiperidine-4-carboxylic acid (PubChem CID 55178926) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-hexanoyl-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-hexanoyl-4-propylpiperidine-4-carboxylic acid
PubChem CID55178926
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-hexanoyl-4-propylpiperidine-4-carboxylic acid
SMILESCCCCCC(=O)N1CCC(CCC)(C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-3-5-6-7-13(17)16-11-9-15(8-4-2,10-12-16)14(18)19/h3-12H2,1-2H3,(H,18,19)
InChIKeyASRBERQFFJQIIC-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125457
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-(2-propan-2-ylsulfanylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 63125609
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63125470
1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one
CID 80707384
4-methyl-1-pentanoylpiperidine-4-carboxylic acid
CID 63123206
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-[3-(methylamino)propanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145151
1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125704
1-[4-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
CID 115304579

Frequently Asked Questions

What is the IUPAC name of 1-hexanoyl-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-hexanoyl-4-propylpiperidine-4-carboxylic acid (CID 55178926) is 1-hexanoyl-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-hexanoyl-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-hexanoyl-4-propylpiperidine-4-carboxylic acid is CCCCCC(=O)N1CCC(CCC)(C(=O)O)CC1.
What is the InChIKey of 1-hexanoyl-4-propylpiperidine-4-carboxylic acid?
The InChIKey is ASRBERQFFJQIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-5-6-7-13(17)16-11-9-15(8-4-2,10-12-16)14(18)19/h3-12H2,1-2H3,(H,18,19).
What are the key properties of 1-hexanoyl-4-propylpiperidine-4-carboxylic acid?
1-hexanoyl-4-propylpiperidine-4-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexanoyl-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 55178926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).