4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one

C16H25N3O2 — CID 80542376

IUPAC4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCOc1cccc(N2CCN(C(=O)C(C)CCN)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-13(6-7-17)16(20)19-10-8-18(9-11-19)14-4-3-5-15(12-14)21-2/h3-5,12-13H,6-11,17H2,1-2H3
InChIKeyIFMCGDPFBSFYDU-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.33
Rot. Bonds5

About 4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one

4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one (PubChem CID 80542376) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
PubChem CID80542376
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCOc1cccc(N2CCN(C(=O)C(C)CCN)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-13(6-7-17)16(20)19-10-8-18(9-11-19)14-4-3-5-15(12-14)21-2/h3-5,12-13H,6-11,17H2,1-2H3
InChIKeyIFMCGDPFBSFYDU-UHFFFAOYSA-N
XLogP1.33
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 86912572
N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 42904601
N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 38574785
methyl 3-[[ethylamino-[4-(3-methoxyphenyl)piperazin-1-yl]methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111290666
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 66455314
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 31911957
propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
[(1S,3S)-3-aminocyclopentyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 124691079

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one (CID 80542376) is 4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one is COc1cccc(N2CCN(C(=O)C(C)CCN)CC2)c1.
What is the InChIKey of 4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one?
The InChIKey is IFMCGDPFBSFYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(6-7-17)16(20)19-10-8-18(9-11-19)14-4-3-5-15(12-14)21-2/h3-5,12-13H,6-11,17H2,1-2H3.
What are the key properties of 4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one?
4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one has a molecular weight of 291.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 80542376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).