2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide

C15H22FN3O — CID 43705145

IUPAC2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide
SMILESCC(Nc1ccc(F)c(C(N)=O)c1)C1CCCN(C)C1
InChIInChI=1S/C15H22FN3O/c1-10(11-4-3-7-19(2)9-11)18-12-5-6-14(16)13(8-12)15(17)20/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3,(H2,17,20)
InChIKeyNSDRTQAKQYKRNK-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.07
Rot. Bonds4

About 2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide

2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide (PubChem CID 43705145) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide
PubChem CID43705145
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide
SMILESCC(Nc1ccc(F)c(C(N)=O)c1)C1CCCN(C)C1
InChIInChI=1S/C15H22FN3O/c1-10(11-4-3-7-19(2)9-11)18-12-5-6-14(16)13(8-12)15(17)20/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3,(H2,17,20)
InChIKeyNSDRTQAKQYKRNK-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 64795007
4-(difluoromethoxy)-3-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 60943233
N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43690136
5-(1-cyclopropylpropylamino)-2-fluorobenzamide
CID 64917346
N-[1-(1-methylpiperidin-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43307584
4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308680
3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43307884
2-chloro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43686795
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate
CID 43308775
4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43734119

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide?
The IUPAC name of 2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide (CID 43705145) is 2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide.
What is the SMILES notation for 2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide?
The canonical SMILES for 2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide is CC(Nc1ccc(F)c(C(N)=O)c1)C1CCCN(C)C1.
What is the InChIKey of 2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide?
The InChIKey is NSDRTQAKQYKRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10(11-4-3-7-19(2)9-11)18-12-5-6-14(16)13(8-12)15(17)20/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3,(H2,17,20).
What are the key properties of 2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide?
2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide has a molecular weight of 279.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzamide is sourced from PubChem (CID 43705145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).