N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide

C19H26FN3O2 — CID 56803513

IUPACN'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide
SMILESCC(C)=CCN1CCC(NC(=O)C(=O)Nc2cc(F)ccc2C)CC1
InChIInChI=1S/C19H26FN3O2/c1-13(2)6-9-23-10-7-16(8-11-23)21-18(24)19(25)22-17-12-15(20)5-4-14(17)3/h4-6,12,16H,7-11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyWHICGYQUJVWXBN-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.62
Rot. Bonds4

About N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide

N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide (PubChem CID 56803513) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide.

Molecular Properties

Compound NameN'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide
PubChem CID56803513
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide
SMILESCC(C)=CCN1CCC(NC(=O)C(=O)Nc2cc(F)ccc2C)CC1
InChIInChI=1S/C19H26FN3O2/c1-13(2)6-9-23-10-7-16(8-11-23)21-18(24)19(25)22-17-12-15(20)5-4-14(17)3/h4-6,12,16H,7-11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyWHICGYQUJVWXBN-UHFFFAOYSA-N
XLogP2.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide
CID 56803510
N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide
CID 56806715
2-bromo-5-fluoro-N-[3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 56568992
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917861
5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide
CID 56569475
1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
CID 56569031
N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43762199
N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 56806714
2-methyl-5-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]phenol
CID 107700226
2-(4-bromo-2-methylphenyl)sulfanyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 56568902
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide
CID 56568887
N-cyclohexyl-N'-(2,5-difluorophenyl)oxamide
CID 7585081

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide?
The IUPAC name of N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide (CID 56803513) is N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide.
What is the SMILES notation for N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide?
The canonical SMILES for N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide is CC(C)=CCN1CCC(NC(=O)C(=O)Nc2cc(F)ccc2C)CC1.
What is the InChIKey of N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide?
The InChIKey is WHICGYQUJVWXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-13(2)6-9-23-10-7-16(8-11-23)21-18(24)19(25)22-17-12-15(20)5-4-14(17)3/h4-6,12,16H,7-11H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide?
N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide has a molecular weight of 347.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide is sourced from PubChem (CID 56803513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).