N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide

C24H28N4O — CID 110302002

IUPACN-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide
SMILESCC(C)N1CCN(c2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2)CC1
InChIInChI=1S/C24H28N4O/c1-19(2)26-15-17-28(18-16-26)23-11-7-21(8-12-23)25-24(29)20-5-9-22(10-6-20)27-13-3-4-14-27/h3-14,19H,15-18H2,1-2H3,(H,25,29)
InChIKeyYVGSZFIFNUGVIY-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.26
Rot. Bonds5

About N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide

N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide (PubChem CID 110302002) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide
PubChem CID110302002
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide
SMILESCC(C)N1CCN(c2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2)CC1
InChIInChI=1S/C24H28N4O/c1-19(2)26-15-17-28(18-16-26)23-11-7-21(8-12-23)25-24(29)20-5-9-22(10-6-20)27-13-3-4-14-27/h3-14,19H,15-18H2,1-2H3,(H,25,29)
InChIKeyYVGSZFIFNUGVIY-UHFFFAOYSA-N
XLogP4.26
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.26
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-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732998
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732588
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055949
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide
CID 110369681
2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502704
4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 51093587
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
4-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055951

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide (CID 110302002) is N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide is CC(C)N1CCN(c2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is YVGSZFIFNUGVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-19(2)26-15-17-28(18-16-26)23-11-7-21(8-12-23)25-24(29)20-5-9-22(10-6-20)27-13-3-4-14-27/h3-14,19H,15-18H2,1-2H3,(H,25,29).
What are the key properties of N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide?
N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 388.52 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110302002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).