2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide

C15H22FN3O — CID 81477116

IUPAC2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCc1cccc(C(=O)N(C)CCN2CCNCC2)c1F
InChIInChI=1S/C15H22FN3O/c1-12-4-3-5-13(14(12)16)15(20)18(2)10-11-19-8-6-17-7-9-19/h3-5,17H,6-11H2,1-2H3
InChIKeyDMJWECHMORLLSB-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.11
Rot. Bonds4

About 2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide

2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 81477116) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID81477116
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCc1cccc(C(=O)N(C)CCN2CCNCC2)c1F
InChIInChI=1S/C15H22FN3O/c1-12-4-3-5-13(14(12)16)15(20)18(2)10-11-19-8-6-17-7-9-19/h3-5,17H,6-11H2,1-2H3
InChIKeyDMJWECHMORLLSB-UHFFFAOYSA-N
XLogP1.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 114345025
2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
N-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 55168297
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
2-hydroxy-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63211055
2,4-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265416
2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63206760
N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671415
N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 63265449
1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide
CID 114610245
2-fluoro-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 110753364
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide (CID 81477116) is 2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide is Cc1cccc(C(=O)N(C)CCN2CCNCC2)c1F.
What is the InChIKey of 2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is DMJWECHMORLLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-12-4-3-5-13(14(12)16)15(20)18(2)10-11-19-8-6-17-7-9-19/h3-5,17H,6-11H2,1-2H3.
What are the key properties of 2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide?
2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 279.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 81477116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).