1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid

C14H23NO3 — CID 55050179

IUPAC1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESCCCC1CCN(C(=O)C2(C(=O)O)CCC2)CC1
InChIInChI=1S/C14H23NO3/c1-2-4-11-5-9-15(10-6-11)12(16)14(13(17)18)7-3-8-14/h11H,2-10H2,1H3,(H,17,18)
InChIKeyPOJXVOAKRLRQOR-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.28
Rot. Bonds4

About 1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid

1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 55050179) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID55050179
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESCCCC1CCN(C(=O)C2(C(=O)O)CCC2)CC1
InChIInChI=1S/C14H23NO3/c1-2-4-11-5-9-15(10-6-11)12(16)14(13(17)18)7-3-8-14/h11H,2-10H2,1H3,(H,17,18)
InChIKeyPOJXVOAKRLRQOR-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 97794025
1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096473
1-[3-(Trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 65530085
1-[4-(Trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 65531246
1-(4,4-Difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 116991160
1-(3,3-Difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 116991516
2-Methyl-3-oxo-3-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]propanoic acid
CID 122066936
1-[4-(1,1-Difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 155957110
1-(2,2-Diethyl-4-methylpentanoyl)piperidine-3-carboxylic acid
CID 57700547
1-[1-(2-Methylpropyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 57700639
1-(3,3,5-Trimethylhexanoyl)piperidine-3-carboxylic acid
CID 57700694
1-[1-(2-Methylpropyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 57700705

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid (CID 55050179) is 1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid is CCCC1CCN(C(=O)C2(C(=O)O)CCC2)CC1.
What is the InChIKey of 1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is POJXVOAKRLRQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-4-11-5-9-15(10-6-11)12(16)14(13(17)18)7-3-8-14/h11H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 55050179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).