1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide

C18H26FN3O2 — CID 42541977

IUPAC1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(22-11-8-15(9-12-22)18(24)20-2)17(23)21-10-7-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,24)(H,21,23)/t13-/m1/s1
InChIKeyMQSHHPUAZDZCOY-CYBMUJFWSA-N
MW335.42 g/mol
LogP1.33
Rot. Bonds6

About 1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide

1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 42541977) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
PubChem CID42541977
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(22-11-8-15(9-12-22)18(24)20-2)17(23)21-10-7-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,24)(H,21,23)/t13-/m1/s1
InChIKeyMQSHHPUAZDZCOY-CYBMUJFWSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
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2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride
CID 120775076
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
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(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
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1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
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(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide
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(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
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2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide (CID 42541977) is 1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is MQSHHPUAZDZCOY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13(22-11-8-15(9-12-22)18(24)20-2)17(23)21-10-7-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,24)(H,21,23)/t13-/m1/s1.
What are the key properties of 1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide?
1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 42541977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).