1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide

C20H27FN2O2 — CID 72922541

IUPAC1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1F)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C20H27FN2O2/c21-18-9-2-1-5-15(18)8-4-12-22-19(24)16-10-13-23(14-11-16)20(25)17-6-3-7-17/h1-2,5,9,16-17H,3-4,6-8,10-14H2,(H,22,24)
InChIKeyZIGAKEDKRUQVDA-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.91
Rot. Bonds6

About 1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide (PubChem CID 72922541) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide
PubChem CID72922541
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1F)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C20H27FN2O2/c21-18-9-2-1-5-15(18)8-4-12-22-19(24)16-10-13-23(14-11-16)20(25)17-6-3-7-17/h1-2,5,9,16-17H,3-4,6-8,10-14H2,(H,22,24)
InChIKeyZIGAKEDKRUQVDA-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.91
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-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149065
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
N-[2-(2-fluorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27848033
trans-(1S,2S)-N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95271735
N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 46104007
N-[2-(2-fluorophenyl)ethyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 55778984

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide (CID 72922541) is 1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide is O=C(NCCCc1ccccc1F)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide?
The InChIKey is ZIGAKEDKRUQVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-18-9-2-1-5-15(18)8-4-12-22-19(24)16-10-13-23(14-11-16)20(25)17-6-3-7-17/h1-2,5,9,16-17H,3-4,6-8,10-14H2,(H,22,24).
What are the key properties of 1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 72922541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).