4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide

C16H26N4O — CID 119902624

IUPAC4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
SMILESCN1CCN(Cc2cccc(NC(=O)CCCN)c2)CC1
InChIInChI=1S/C16H26N4O/c1-19-8-10-20(11-9-19)13-14-4-2-5-15(12-14)18-16(21)6-3-7-17/h2,4-5,12H,3,6-11,13,17H2,1H3,(H,18,21)
InChIKeyURLZPHBZNKUYQW-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.11
Rot. Bonds6

About 4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide

4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide (PubChem CID 119902624) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
PubChem CID119902624
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
SMILESCN1CCN(Cc2cccc(NC(=O)CCCN)c2)CC1
InChIInChI=1S/C16H26N4O/c1-19-8-10-20(11-9-19)13-14-4-2-5-15(12-14)18-16(21)6-3-7-17/h2,4-5,12H,3,6-11,13,17H2,1H3,(H,18,21)
InChIKeyURLZPHBZNKUYQW-UHFFFAOYSA-N
XLogP1.11
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]octanamide
CID 60580118
3-(2-aminophenyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide
CID 120613542
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
2-cyclopentyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 60580220
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56545126
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 86839413
4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119852953
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119902578
4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
CID 119852879

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide?
The IUPAC name of 4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide (CID 119902624) is 4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide is CN1CCN(Cc2cccc(NC(=O)CCCN)c2)CC1.
What is the InChIKey of 4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide?
The InChIKey is URLZPHBZNKUYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-8-10-20(11-9-19)13-14-4-2-5-15(12-14)18-16(21)6-3-7-17/h2,4-5,12H,3,6-11,13,17H2,1H3,(H,18,21).
What are the key properties of 4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide?
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide has a molecular weight of 290.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 119902624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).