1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone

C16H25N3O — CID 62304031

IUPAC1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone
SMILESCCC(NCC(=O)N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-3-15(14-7-5-4-6-8-14)17-13-16(20)19-11-9-18(2)10-12-19/h4-8,15,17H,3,9-13H2,1-2H3
InChIKeyKOOVESIXTGOGIG-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.50
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone

1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone (PubChem CID 62304031) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone
PubChem CID62304031
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone
SMILESCCC(NCC(=O)N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-3-15(14-7-5-4-6-8-14)17-13-16(20)19-11-9-18(2)10-12-19/h4-8,15,17H,3,9-13H2,1-2H3
InChIKeyKOOVESIXTGOGIG-UHFFFAOYSA-N
XLogP1.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471
N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 42904870
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
ethyl 4-[2-(benzhydrylamino)acetyl]piperazine-1-carboxylate
CID 8596025
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322
2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 23649168
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81364899
2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28583393

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone (CID 62304031) is 1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone is CCC(NCC(=O)N1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone?
The InChIKey is KOOVESIXTGOGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-15(14-7-5-4-6-8-14)17-13-16(20)19-11-9-18(2)10-12-19/h4-8,15,17H,3,9-13H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone?
1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone has a molecular weight of 275.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone is sourced from PubChem (CID 62304031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).