4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine

C58H68FN15O6 — CID 159233642

IUPAC4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine
SMILESC1CNCCN1.CNC(=O)c1ccc(F)cc1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)[nH]c(=O)n3cccc43)CC2)cc1.CNC(=O)c1ccc(N2CCNCC2)cc1.O=c1[nH]c2cc(CO)cnc2c2cccn12
InChIInChI=1S/C23H24N6O2.C12H17N3O.C11H9N3O2.C8H8FNO.C4H10N2/c1-24-22(30)17-4-6-18(7-5-17)28-11-9-27(10-12-28)15-16-13-19-21(25-14-16)20-3-2-8-29(20)23(31)26-19;1-13-12(16)10-2-4-11(5-3-10)15-8-6-14-7-9-15;15-6-7-4-8-10(12-5-7)9-2-1-3-14(9)11(16)13-8;1-10-8(11)6-2-4-7(9)5-3-6;1-2-6-4-3-5-1/h2-8,13-14H,9-12,15H2,1H3,(H,24,30)(H,26,31);2-5,14H,6-9H2,1H3,(H,13,16);1-5,15H,6H2,(H,13,16);2-5H,1H3,(H,10,11);5-6H,1-4H2
InChIKeyKTFAHURWXNMKCN-UHFFFAOYSA-N
MW1090.28 g/mol
LogP3.35
Rot. Bonds8

About 4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine

4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine (PubChem CID 159233642) has the molecular formula C58H68FN15O6 and a molecular weight of 1090.28 g/mol. Its IUPAC name is 4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine.

Molecular Properties

Compound Name4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine
PubChem CID159233642
Molecular FormulaC58H68FN15O6
Molecular Weight1090.28 g/mol
Exact Mass1089.55
IUPAC Name4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine
SMILESC1CNCCN1.CNC(=O)c1ccc(F)cc1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)[nH]c(=O)n3cccc43)CC2)cc1.CNC(=O)c1ccc(N2CCNCC2)cc1.O=c1[nH]c2cc(CO)cnc2c2cccn12
InChIInChI=1S/C23H24N6O2.C12H17N3O.C11H9N3O2.C8H8FNO.C4H10N2/c1-24-22(30)17-4-6-18(7-5-17)28-11-9-27(10-12-28)15-16-13-19-21(25-14-16)20-3-2-8-29(20)23(31)26-19;1-13-12(16)10-2-4-11(5-3-10)15-8-6-14-7-9-15;15-6-7-4-8-10(12-5-7)9-2-1-3-14(9)11(16)13-8;1-10-8(11)6-2-4-7(9)5-3-6;1-2-6-4-3-5-1/h2-8,13-14H,9-12,15H2,1H3,(H,24,30)(H,26,31);2-5,14H,6-9H2,1H3,(H,13,16);1-5,15H,6H2,(H,13,16);2-5H,1H3,(H,10,11);5-6H,1-4H2
InChIKeyKTFAHURWXNMKCN-UHFFFAOYSA-N
XLogP3.35
TPSA253.66 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001090.28
LogP ≤ 53.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Analyze 4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine?
The IUPAC name of 4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine (CID 159233642) is 4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine.
What is the SMILES notation for 4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine?
The canonical SMILES for 4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine is C1CNCCN1.CNC(=O)c1ccc(F)cc1.CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)[nH]c(=O)n3cccc43)CC2)cc1.CNC(=O)c1ccc(N2CCNCC2)cc1.O=c1[nH]c2cc(CO)cnc2c2cccn12.
What is the InChIKey of 4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine?
The InChIKey is KTFAHURWXNMKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2.C12H17N3O.C11H9N3O2.C8H8FNO.C4H10N2/c1-24-22(30)17-4-6-18(7-5-17)28-11-9-27(10-12-28)15-16-13-19-21(25-14-16)20-3-2-8-29(20)23(31)26-19;1-13-12(16)10-2-4-11(5-3-10)15-8-6-14-7-9-15;15-6-7-4-8-10(12-5-7)9-2-1-3-14(9)11(16)13-8;1-10-8(11)6-2-4-7(9)5-3-6;1-2-6-4-3-5-1/h2-8,13-14H,9-12,15H2,1H3,(H,24,30)(H,26,31);2-5,14H,6-9H2,1H3,(H,13,16);1-5,15H,6H2,(H,13,16);2-5H,1H3,(H,10,11);5-6H,1-4H2.
What are the key properties of 4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine?
4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine has a molecular weight of 1090.28 g/mol, XLogP of 3.35, 8 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one;N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-methyl-4-piperazin-1-ylbenzamide;piperazine is sourced from PubChem (CID 159233642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).