2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one

C16H25N3O — CID 146187047

IUPAC2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one
SMILESCCC(C)(N)C(=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-4-16(2,17)15(20)13-5-7-14(8-6-13)19-11-9-18(3)10-12-19/h5-8H,4,9-12,17H2,1-3H3
InChIKeyWDHPOKOIDLQKEV-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one

2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one (PubChem CID 146187047) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one
PubChem CID146187047
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one
SMILESCCC(C)(N)C(=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-4-16(2,17)15(20)13-5-7-14(8-6-13)19-11-9-18(3)10-12-19/h5-8H,4,9-12,17H2,1-3H3
InChIKeyWDHPOKOIDLQKEV-UHFFFAOYSA-N
XLogP1.75
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide
CID 177376836
4-(4-methylpiperazin-1-yl)benzoate
CID 86673981
4-(4-methylpiperazin-1-yl)benzoyl chloride;hydrochloride
CID 86712573
4-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrate;hydrochloride
CID 18525908
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108992269
1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one
CID 58256894
1-(4-tert-butylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 58441741
ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide
CID 177318198
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109031383
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one (CID 146187047) is 2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one is CCC(C)(N)C(=O)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one?
The InChIKey is WDHPOKOIDLQKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-16(2,17)15(20)13-5-7-14(8-6-13)19-11-9-18(3)10-12-19/h5-8H,4,9-12,17H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one?
2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one has a molecular weight of 275.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one is sourced from PubChem (CID 146187047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).