4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide

C20H30FN3O2 — CID 78810006

IUPAC4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
SMILESCCCN1CCC(NC(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)CC1
InChIInChI=1S/C20H30FN3O2/c1-4-11-24-12-9-17(10-13-24)22-20(26)18(14(2)3)23-19(25)15-5-7-16(21)8-6-15/h5-8,14,17-18H,4,9-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyZJAVFCIBTJWKGG-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.57
Rot. Bonds7

About 4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide

4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide (PubChem CID 78810006) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
PubChem CID78810006
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
SMILESCCCN1CCC(NC(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)CC1
InChIInChI=1S/C20H30FN3O2/c1-4-11-24-12-9-17(10-13-24)22-20(26)18(14(2)3)23-19(25)15-5-7-16(21)8-6-15/h5-8,14,17-18H,4,9-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyZJAVFCIBTJWKGG-UHFFFAOYSA-N
XLogP2.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
CID 78809641
4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]pentan-2-yl]benzamide
CID 78809540
N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 46540265
4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55702964
4-fluoro-N-[3-methyl-1-[(1-methyl-6-oxopiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 56793894
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
N-[(2R)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 26918649
[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 9491965
4-fluoro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
CID 4811350
N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 78810004
2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250206
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27212161

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide (CID 78810006) is 4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide is CCCN1CCC(NC(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)CC1.
What is the InChIKey of 4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide?
The InChIKey is ZJAVFCIBTJWKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-4-11-24-12-9-17(10-13-24)22-20(26)18(14(2)3)23-19(25)15-5-7-16(21)8-6-15/h5-8,14,17-18H,4,9-13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide?
4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide has a molecular weight of 363.48 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide is sourced from PubChem (CID 78810006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).