3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide

C19H22FN3O — CID 110109482

IUPAC3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2CNCCN2Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FN3O/c1-21-19(24)16-4-2-3-15(11-16)18-12-22-9-10-23(18)13-14-5-7-17(20)8-6-14/h2-8,11,18,22H,9-10,12-13H2,1H3,(H,21,24)
InChIKeyBQEXBBKRTIGCBU-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.33
Rot. Bonds4

About 3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide

3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide (PubChem CID 110109482) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide
PubChem CID110109482
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2CNCCN2Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FN3O/c1-21-19(24)16-4-2-3-15(11-16)18-12-22-9-10-23(18)13-14-5-7-17(20)8-6-14/h2-8,11,18,22H,9-10,12-13H2,1H3,(H,21,24)
InChIKeyBQEXBBKRTIGCBU-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide
CID 124952417
N-methyl-3-[(2R)-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 125018311
N-methyl-3-[1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 110109471
N-methyl-3-[(2S)-1-[(3-methylimidazol-4-yl)methyl]piperazin-2-yl]benzamide
CID 124972395
N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide
CID 124962672
N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide
CID 124968626
3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109496
3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
CID 118741941
3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
CID 110122364
methyl 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 120768634
ethyl 2-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]phenoxy]acetate;hydrochloride
CID 120768431
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 120771242

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide (CID 110109482) is 3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide is CNC(=O)c1cccc(C2CNCCN2Cc2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide?
The InChIKey is BQEXBBKRTIGCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-21-19(24)16-4-2-3-15(11-16)18-12-22-9-10-23(18)13-14-5-7-17(20)8-6-14/h2-8,11,18,22H,9-10,12-13H2,1H3,(H,21,24).
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide?
3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide has a molecular weight of 327.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 110109482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).