N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide

C26H25N3O2 — CID 24624504

IUPACN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C26H25N3O2/c1-17-15-19(29-13-11-28(2)12-14-29)8-10-24(17)27-26(31)18-7-9-21-20-5-3-4-6-22(20)25(30)23(21)16-18/h3-10,15-16H,11-14H2,1-2H3,(H,27,31)
InChIKeyVXSSXIFOWHVNRQ-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.21
Rot. Bonds3

About N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide (PubChem CID 24624504) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
PubChem CID24624504
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C26H25N3O2/c1-17-15-19(29-13-11-28(2)12-14-29)8-10-24(17)27-26(31)18-7-9-21-20-5-3-4-6-22(20)25(30)23(21)16-18/h3-10,15-16H,11-14H2,1-2H3,(H,27,31)
InChIKeyVXSSXIFOWHVNRQ-UHFFFAOYSA-N
XLogP4.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559277
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18127986
4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 4787079
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
6-methoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18127997
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide
CID 26711987
4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058910
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one
CID 57403295
1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide
CID 46669244
methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate
CID 55916624

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide?
The IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide (CID 24624504) is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide?
The InChIKey is VXSSXIFOWHVNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-17-15-19(29-13-11-28(2)12-14-29)8-10-24(17)27-26(31)18-7-9-21-20-5-3-4-6-22(20)25(30)23(21)16-18/h3-10,15-16H,11-14H2,1-2H3,(H,27,31).
What are the key properties of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide?
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide is sourced from PubChem (CID 24624504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).