4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide

C15H24N4O — CID 22692234

IUPAC4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
SMILESCN1CCN(c2ccc(NC(=O)CCCN)cc2)CC1
InChIInChI=1S/C15H24N4O/c1-18-9-11-19(12-10-18)14-6-4-13(5-7-14)17-15(20)3-2-8-16/h4-7H,2-3,8-12,16H2,1H3,(H,17,20)
InChIKeyYTXUAHLYOHEADQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.12
Rot. Bonds5

About 4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide

4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide (PubChem CID 22692234) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
PubChem CID22692234
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
SMILESCN1CCN(c2ccc(NC(=O)CCCN)cc2)CC1
InChIInChI=1S/C15H24N4O/c1-18-9-11-19(12-10-18)14-6-4-13(5-7-14)17-15(20)3-2-8-16/h4-7H,2-3,8-12,16H2,1H3,(H,17,20)
InChIKeyYTXUAHLYOHEADQ-UHFFFAOYSA-N
XLogP1.12
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
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

2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide
CID 110601093
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012880
7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
CID 119861246
3-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109017152
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
1-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 2768327
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110679110

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide (CID 22692234) is 4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide is CN1CCN(c2ccc(NC(=O)CCCN)cc2)CC1.
What is the InChIKey of 4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide?
The InChIKey is YTXUAHLYOHEADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-9-11-19(12-10-18)14-6-4-13(5-7-14)17-15(20)3-2-8-16/h4-7H,2-3,8-12,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide?
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide is sourced from PubChem (CID 22692234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).