1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide

C19H27FN2O3 — CID 55870530

IUPAC1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)N(C)CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O3/c1-3-4-18(23)22-11-9-15(10-12-22)19(24)21(2)13-14-25-17-7-5-16(20)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyYGLOXSXGCSFSLM-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.70
Rot. Bonds7

About 1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide

1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55870530) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
PubChem CID55870530
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)N(C)CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O3/c1-3-4-18(23)22-11-9-15(10-12-22)19(24)21(2)13-14-25-17-7-5-16(20)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyYGLOXSXGCSFSLM-UHFFFAOYSA-N
XLogP2.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-methyl-N-[3-(2-methylphenoxy)propyl]piperidine-4-carboxamide
CID 55898192
(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 31793508
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
N-butyl-1-[2-(4-ethylphenoxy)acetyl]-N-methylpiperidine-4-carboxamide
CID 55949891
2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119228405
N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55855912
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 134005471
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
9-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984064

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide (CID 55870530) is 1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)N(C)CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is YGLOXSXGCSFSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-3-4-18(23)22-11-9-15(10-12-22)19(24)21(2)13-14-25-17-7-5-16(20)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3.
What are the key properties of 1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55870530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).