3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one

C15H23N3O2 — CID 106110999

IUPAC3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-17-8-9-18(15(19)14(10-16)20-2)13(11-17)12-6-4-3-5-7-12/h3-7,13-14H,8-11,16H2,1-2H3
InChIKeyHHKANGIMXFKWDZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.48
Rot. Bonds4

About 3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one

3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one (PubChem CID 106110999) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
PubChem CID106110999
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-17-8-9-18(15(19)14(10-16)20-2)13(11-17)12-6-4-3-5-7-12/h3-7,13-14H,8-11,16H2,1-2H3
InChIKeyHHKANGIMXFKWDZ-UHFFFAOYSA-N
XLogP0.48
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
2-bromo-1-(4-methyl-2-phenylpiperazin-1-yl)butan-1-one
CID 62856286
(2S)-2-(4-methoxyphenoxy)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51929991
5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one
CID 82846107
(2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 129376778
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 55394367
N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 37332784
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 106112107

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one (CID 106110999) is 3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one is COC(CN)C(=O)N1CCN(C)CC1c1ccccc1.
What is the InChIKey of 3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is HHKANGIMXFKWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-8-9-18(15(19)14(10-16)20-2)13(11-17)12-6-4-3-5-7-12/h3-7,13-14H,8-11,16H2,1-2H3.
What are the key properties of 3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 277.37 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 106110999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).