4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide

C15H22FN3O — CID 80551926

IUPAC4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide
SMILESCCNCC1CCN(c2ccc(C(N)=O)cc2F)CC1
InChIInChI=1S/C15H22FN3O/c1-2-18-10-11-5-7-19(8-6-11)14-4-3-12(15(17)20)9-13(14)16/h3-4,9,11,18H,2,5-8,10H2,1H3,(H2,17,20)
InChIKeyACQLCSFVDXYKPP-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.75
Rot. Bonds5

About 4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide

4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide (PubChem CID 80551926) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide
PubChem CID80551926
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide
SMILESCCNCC1CCN(c2ccc(C(N)=O)cc2F)CC1
InChIInChI=1S/C15H22FN3O/c1-2-18-10-11-5-7-19(8-6-11)14-4-3-12(15(17)20)9-13(14)16/h3-4,9,11,18H,2,5-8,10H2,1H3,(H2,17,20)
InChIKeyACQLCSFVDXYKPP-UHFFFAOYSA-N
XLogP1.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide
CID 115307520
4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide
CID 91071189
4-[4-(ethylaminomethyl)piperidin-1-yl]-2,3-difluorobenzoic acid
CID 80546612
4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 61421396
4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid
CID 61220908
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856
4-(3-ethylpyrrolidin-1-yl)-3-fluorobenzenecarbothioamide
CID 113417510
3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide
CID 119990219
4-[4-[(dipropylamino)methyl]piperidin-1-yl]-3-fluorobenzoic acid
CID 156711612
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
4-[3-(ethylamino)propylamino]-3-fluorobenzamide
CID 54906629
3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253493

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide?
The IUPAC name of 4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide (CID 80551926) is 4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide.
What is the SMILES notation for 4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide?
The canonical SMILES for 4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide is CCNCC1CCN(c2ccc(C(N)=O)cc2F)CC1.
What is the InChIKey of 4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide?
The InChIKey is ACQLCSFVDXYKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-18-10-11-5-7-19(8-6-11)14-4-3-12(15(17)20)9-13(14)16/h3-4,9,11,18H,2,5-8,10H2,1H3,(H2,17,20).
What are the key properties of 4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide?
4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide has a molecular weight of 279.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylaminomethyl)piperidin-1-yl]-3-fluorobenzamide is sourced from PubChem (CID 80551926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).