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

C26H28FN3O — CID 46043371

IUPACN-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(CN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C26H28FN3O/c1-28(19-21-8-3-2-4-9-21)26(31)23-11-7-10-22(18-23)20-29-14-16-30(17-15-29)25-13-6-5-12-24(25)27/h2-13,18H,14-17,19-20H2,1H3
InChIKeyHVXAXMGJZZKOSN-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.42
Rot. Bonds6

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

N-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide (PubChem CID 46043371) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is N-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide
PubChem CID46043371
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC NameN-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(CN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C26H28FN3O/c1-28(19-21-8-3-2-4-9-21)26(31)23-11-7-10-22(18-23)20-29-14-16-30(17-15-29)25-13-6-5-12-24(25)27/h2-13,18H,14-17,19-20H2,1H3
InChIKeyHVXAXMGJZZKOSN-UHFFFAOYSA-N
XLogP4.42
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 39230100
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 24819858
azane;2-(4-benzylpiperazin-1-yl)-6-fluorobenzoic acid
CID 174394059
N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
CID 174377053
N-benzyl-4-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-methylbenzamide
CID 46147046
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide
CID 59144676
3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054502
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054514
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 43918658
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 25163092

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide?
The IUPAC name of N-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide (CID 46043371) is N-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1cccc(CN2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of N-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide?
The InChIKey is HVXAXMGJZZKOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c1-28(19-21-8-3-2-4-9-21)26(31)23-11-7-10-22(18-23)20-29-14-16-30(17-15-29)25-13-6-5-12-24(25)27/h2-13,18H,14-17,19-20H2,1H3.
What are the key properties of N-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide?
N-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide has a molecular weight of 417.53 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 46043371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).