2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one

C16H25N3O2 — CID 119876135

IUPAC2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccccc1CN1CCN(C(=O)C(C)(C)N)CC1
InChIInChI=1S/C16H25N3O2/c1-16(2,17)15(20)19-10-8-18(9-11-19)12-13-6-4-5-7-14(13)21-3/h4-7H,8-12,17H2,1-3H3
InChIKeyGAWDBFLXUDTRGY-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.08
Rot. Bonds4

About 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one

2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 119876135) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID119876135
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccccc1CN1CCN(C(=O)C(C)(C)N)CC1
InChIInChI=1S/C16H25N3O2/c1-16(2,17)15(20)19-10-8-18(9-11-19)12-13-6-4-5-7-14(13)21-3/h4-7H,8-12,17H2,1-3H3
InChIKeyGAWDBFLXUDTRGY-UHFFFAOYSA-N
XLogP1.08
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119876162
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110360001
2-amino-2-methyl-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119896241
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110399002
1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2,2-diphenylethanone;oxalic acid
CID 17384967
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398984
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110398981
(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110014493

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one (CID 119876135) is 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one is COc1ccccc1CN1CCN(C(=O)C(C)(C)N)CC1.
What is the InChIKey of 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is GAWDBFLXUDTRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,17)15(20)19-10-8-18(9-11-19)12-13-6-4-5-7-14(13)21-3/h4-7H,8-12,17H2,1-3H3.
What are the key properties of 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one?
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 291.39 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 119876135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).