2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide

C18H21FN4O — CID 136568984

IUPAC2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide
SMILESCC(c1cccnc1)N1CCN(c2cccc(F)c2C(N)=O)CC1
InChIInChI=1S/C18H21FN4O/c1-13(14-4-3-7-21-12-14)22-8-10-23(11-9-22)16-6-2-5-15(19)17(16)18(20)24/h2-7,12-13H,8-11H2,1H3,(H2,20,24)
InChIKeyOCFBCRCNSDHFCJ-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.20
Rot. Bonds4

About 2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide

2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide (PubChem CID 136568984) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide
PubChem CID136568984
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide
SMILESCC(c1cccnc1)N1CCN(c2cccc(F)c2C(N)=O)CC1
InChIInChI=1S/C18H21FN4O/c1-13(14-4-3-7-21-12-14)22-8-10-23(11-9-22)16-6-2-5-15(19)17(16)18(20)24/h2-7,12-13H,8-11H2,1H3,(H2,20,24)
InChIKeyOCFBCRCNSDHFCJ-UHFFFAOYSA-N
XLogP2.20
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzonitrile
CID 122134128
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide
CID 79522708
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
(3-aminophenyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903343
1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine
CID 110452631
4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline
CID 124885067
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N'-(4-methylphenyl)oxamide
CID 94793790
1-[2-fluoro-6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]phenyl]ethanone
CID 125130888

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide?
The IUPAC name of 2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide (CID 136568984) is 2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide?
The canonical SMILES for 2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide is CC(c1cccnc1)N1CCN(c2cccc(F)c2C(N)=O)CC1.
What is the InChIKey of 2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide?
The InChIKey is OCFBCRCNSDHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-13(14-4-3-7-21-12-14)22-8-10-23(11-9-22)16-6-2-5-15(19)17(16)18(20)24/h2-7,12-13H,8-11H2,1H3,(H2,20,24).
What are the key properties of 2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide?
2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide has a molecular weight of 328.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 136568984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).