(2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide

C21H33FN2O — CID 156775827

IUPAC(2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)[C@@H]1CCCCN1CCCCCF
InChIInChI=1S/C21H33FN2O/c1-3-17-11-10-12-18(4-2)20(17)23-21(25)19-13-6-9-16-24(19)15-8-5-7-14-22/h10-12,19H,3-9,13-16H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyZUPYSGANWXFRQS-IBGZPJMESA-N
MW348.51 g/mol
LogP4.74
Rot. Bonds9

About (2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide

(2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide (PubChem CID 156775827) has the molecular formula C21H33FN2O and a molecular weight of 348.51 g/mol. Its IUPAC name is (2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide
PubChem CID156775827
Molecular FormulaC21H33FN2O
Molecular Weight348.51 g/mol
Exact Mass348.26
IUPAC Name(2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)[C@@H]1CCCCN1CCCCCF
InChIInChI=1S/C21H33FN2O/c1-3-17-11-10-12-18(4-2)20(17)23-21(25)19-13-6-9-16-24(19)15-8-5-7-14-22/h10-12,19H,3-9,13-16H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyZUPYSGANWXFRQS-IBGZPJMESA-N
XLogP4.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 54.74
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

(2S)-N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 156775866
N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 174853104
1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide
CID 122503909
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
CID 66709536
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid
CID 66615074
1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852348
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide (CID 156775827) is (2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide is CCc1cccc(CC)c1NC(=O)[C@@H]1CCCCN1CCCCCF.
What is the InChIKey of (2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide?
The InChIKey is ZUPYSGANWXFRQS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H33FN2O/c1-3-17-11-10-12-18(4-2)20(17)23-21(25)19-13-6-9-16-24(19)15-8-5-7-14-22/h10-12,19H,3-9,13-16H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of (2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide?
(2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-diethylphenyl)-1-(5-fluoropentyl)piperidine-2-carboxamide is sourced from PubChem (CID 156775827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).