4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide

C16H24FN3O — CID 174602337

IUPAC4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide
SMILESCCCCc1ccc(C(N)=O)c(F)c1CN1CCNCC1
InChIInChI=1S/C16H24FN3O/c1-2-3-4-12-5-6-13(16(18)21)15(17)14(12)11-20-9-7-19-8-10-20/h5-6,19H,2-4,7-11H2,1H3,(H2,18,21)
InChIKeyRDWOXBOKMKIHES-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.67
Rot. Bonds6

About 4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide

4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide (PubChem CID 174602337) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide.

Molecular Properties

Compound Name4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide
PubChem CID174602337
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide
SMILESCCCCc1ccc(C(N)=O)c(F)c1CN1CCNCC1
InChIInChI=1S/C16H24FN3O/c1-2-3-4-12-5-6-13(16(18)21)15(17)14(12)11-20-9-7-19-8-10-20/h5-6,19H,2-4,7-11H2,1H3,(H2,18,21)
InChIKeyRDWOXBOKMKIHES-UHFFFAOYSA-N
XLogP1.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-5-(piperazin-1-ylmethyl)benzamide
CID 174560314
3,4-dibutylbenzene-1,2-dicarboxamide
CID 175393546
4-decyl-2-fluoro-3-methylbenzamide
CID 57359826
4-fluoro-3-(piperazin-1-ylmethyl)benzamide
CID 24701378
2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide
CID 135203299
3-carbamoyl-2,6-dioctadecylbenzoic acid
CID 68723521
2-butylbenzamide
CID 15468173
2,3-difluoro-4-pentylbenzoic acid
CID 19103630
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone
CID 165354806
4-fluoro-3-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzamide
CID 63265639
2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119403589

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide?
The IUPAC name of 4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide (CID 174602337) is 4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide.
What is the SMILES notation for 4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide?
The canonical SMILES for 4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide is CCCCc1ccc(C(N)=O)c(F)c1CN1CCNCC1.
What is the InChIKey of 4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide?
The InChIKey is RDWOXBOKMKIHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-3-4-12-5-6-13(16(18)21)15(17)14(12)11-20-9-7-19-8-10-20/h5-6,19H,2-4,7-11H2,1H3,(H2,18,21).
What are the key properties of 4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide?
4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide has a molecular weight of 293.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide is sourced from PubChem (CID 174602337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).