N-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide

C24H32N4O — CID 71124381

IUPACN-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide
SMILESCN1CCN(c2ccc(-c3cccc(C(CC4CC4)C(=O)NCN)c3)cc2)CC1
InChIInChI=1S/C24H32N4O/c1-27-11-13-28(14-12-27)22-9-7-19(8-10-22)20-3-2-4-21(16-20)23(15-18-5-6-18)24(29)26-17-25/h2-4,7-10,16,18,23H,5-6,11-15,17,25H2,1H3,(H,26,29)
InChIKeyYLNMUPOBFDSPNF-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.02
Rot. Bonds7

About N-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide

N-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide (PubChem CID 71124381) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide
PubChem CID71124381
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide
SMILESCN1CCN(c2ccc(-c3cccc(C(CC4CC4)C(=O)NCN)c3)cc2)CC1
InChIInChI=1S/C24H32N4O/c1-27-11-13-28(14-12-27)22-9-7-19(8-10-22)20-3-2-4-21(16-20)23(15-18-5-6-18)24(29)26-17-25/h2-4,7-10,16,18,23H,5-6,11-15,17,25H2,1H3,(H,26,29)
InChIKeyYLNMUPOBFDSPNF-UHFFFAOYSA-N
XLogP3.02
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3-phenylpropanamide
CID 10972182
(2R)-2-[3-[4-(4-tert-butylpiperazin-1-yl)phenyl]phenyl]-N-(cyanomethyl)-4-methylpentanamide
CID 11070333
N-(cyanomethyl)-3-(1-methylcyclopropyl)-2-[3-(4-piperazin-1-ylphenyl)phenyl]propanamide
CID 22972551
N-(cyanomethyl)-4-methyl-2-[3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]pentanamide
CID 10227006
N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide
CID 171820990
3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide
CID 166328931
N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 117093184
2-[3-[4-(4-tert-butylpiperazin-1-yl)phenyl]phenyl]-N-(1-cyanocyclopropyl)-4-methylpentanamide
CID 69178361
2-methyl-N-[1-[3-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide
CID 167225758
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate
CID 117415412
3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide
CID 62877335

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide?
The IUPAC name of N-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide (CID 71124381) is N-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide.
What is the SMILES notation for N-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide?
The canonical SMILES for N-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide is CN1CCN(c2ccc(-c3cccc(C(CC4CC4)C(=O)NCN)c3)cc2)CC1.
What is the InChIKey of N-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide?
The InChIKey is YLNMUPOBFDSPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-27-11-13-28(14-12-27)22-9-7-19(8-10-22)20-3-2-4-21(16-20)23(15-18-5-6-18)24(29)26-17-25/h2-4,7-10,16,18,23H,5-6,11-15,17,25H2,1H3,(H,26,29).
What are the key properties of N-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide?
N-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide has a molecular weight of 392.55 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-3-cyclopropyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]propanamide is sourced from PubChem (CID 71124381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).