3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide

C16H24FN3O — CID 79535920

IUPAC3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(C)CC1CCCCN1
InChIInChI=1S/C16H24FN3O/c1-10(7-13-5-3-4-6-19-13)20-15-9-12(16(18)21)8-14(17)11(15)2/h8-10,13,19-20H,3-7H2,1-2H3,(H2,18,21)
InChIKeyCMRISDDWTMBLLN-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.57
Rot. Bonds5

About 3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide

3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide (PubChem CID 79535920) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide
PubChem CID79535920
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(C)CC1CCCCN1
InChIInChI=1S/C16H24FN3O/c1-10(7-13-5-3-4-6-19-13)20-15-9-12(16(18)21)8-14(17)11(15)2/h8-10,13,19-20H,3-7H2,1-2H3,(H2,18,21)
InChIKeyCMRISDDWTMBLLN-UHFFFAOYSA-N
XLogP2.57
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522
4-[1-(azepan-2-yl)propan-2-ylamino]-3-methylbenzoic acid
CID 79541323
3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
CID 43735724
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537051
4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79536255
methyl 2,4-difluoro-5-(1-pyrrolidin-2-ylpropan-2-ylamino)benzoate
CID 79538034
ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate
CID 79537495
N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
CID 79538042
4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79535891
2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539126

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide?
The IUPAC name of 3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide (CID 79535920) is 3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide is Cc1c(F)cc(C(N)=O)cc1NC(C)CC1CCCCN1.
What is the InChIKey of 3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide?
The InChIKey is CMRISDDWTMBLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-10(7-13-5-3-4-6-19-13)20-15-9-12(16(18)21)8-14(17)11(15)2/h8-10,13,19-20H,3-7H2,1-2H3,(H2,18,21).
What are the key properties of 3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide?
3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide has a molecular weight of 293.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide is sourced from PubChem (CID 79535920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).