2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one

C13H21N3O2 — CID 63204199

IUPAC2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(CN)Cc2ccoc2)CC1
InChIInChI=1S/C13H21N3O2/c1-15-3-5-16(6-4-15)13(17)12(9-14)8-11-2-7-18-10-11/h2,7,10,12H,3-6,8-9,14H2,1H3
InChIKeyCWFPSGRFZGKODM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.17
Rot. Bonds4

About 2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one

2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 63204199) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID63204199
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(CN)Cc2ccoc2)CC1
InChIInChI=1S/C13H21N3O2/c1-15-3-5-16(6-4-15)13(17)12(9-14)8-11-2-7-18-10-11/h2,7,10,12H,3-6,8-9,14H2,1H3
InChIKeyCWFPSGRFZGKODM-UHFFFAOYSA-N
XLogP0.17
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 62081897
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
3-(furan-3-yl)-2-methylpropan-1-amine
CID 64666648
2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 114553858
2-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 62081543
2-(furan-3-ylmethyl)pentanoic acid
CID 12573303
2-(aminomethyl)-3-(3,5-difluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 106531741
2-amino-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 69185144
4-[2-(aminomethyl)-3-phenylpropanoyl]-1-methyl-1,4-diazepan-2-one
CID 102888728
2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 63972715
1-[4-(furan-3-yl)butyl]-4-methylpiperazine
CID 59675456
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one (CID 63204199) is 2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)C(CN)Cc2ccoc2)CC1.
What is the InChIKey of 2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is CWFPSGRFZGKODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-3-5-16(6-4-15)13(17)12(9-14)8-11-2-7-18-10-11/h2,7,10,12H,3-6,8-9,14H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one?
2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(furan-3-yl)-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 63204199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).