5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide

C16H24FN3O — CID 79704767

IUPAC5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide
SMILESCC(C)N(CC1CCNCC1)c1ccc(F)cc1C(N)=O
InChIInChI=1S/C16H24FN3O/c1-11(2)20(10-12-5-7-19-8-6-12)15-4-3-13(17)9-14(15)16(18)21/h3-4,9,11-12,19H,5-8,10H2,1-2H3,(H2,18,21)
InChIKeyWBRIXVOSGRUQLX-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.14
Rot. Bonds5

About 5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide

5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide (PubChem CID 79704767) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide.

Molecular Properties

Compound Name5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide
PubChem CID79704767
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide
SMILESCC(C)N(CC1CCNCC1)c1ccc(F)cc1C(N)=O
InChIInChI=1S/C16H24FN3O/c1-11(2)20(10-12-5-7-19-8-6-12)15-4-3-13(17)9-14(15)16(18)21/h3-4,9,11-12,19H,5-8,10H2,1-2H3,(H2,18,21)
InChIKeyWBRIXVOSGRUQLX-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide
CID 79703797
2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004521
2-chloro-6-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide
CID 79703789
2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 79719768
2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702095
5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide
CID 114894118
2-(2-carbamothioyl-4-fluoro-N-propan-2-ylanilino)acetamide
CID 63674904
2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-5-fluorobenzoic acid
CID 54989181
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
N-(piperidin-4-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)aniline
CID 79704419
3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 112676220
3-bromo-4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzonitrile
CID 82809511

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide?
The IUPAC name of 5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide (CID 79704767) is 5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide.
What is the SMILES notation for 5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide?
The canonical SMILES for 5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide is CC(C)N(CC1CCNCC1)c1ccc(F)cc1C(N)=O.
What is the InChIKey of 5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide?
The InChIKey is WBRIXVOSGRUQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-11(2)20(10-12-5-7-19-8-6-12)15-4-3-13(17)9-14(15)16(18)21/h3-4,9,11-12,19H,5-8,10H2,1-2H3,(H2,18,21).
What are the key properties of 5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide?
5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide has a molecular weight of 293.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[piperidin-4-ylmethyl(propan-2-yl)amino]benzamide is sourced from PubChem (CID 79704767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).