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

C13H21N3O2 — CID 80505042

IUPAC1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2ccco2)C(CN)C1
InChIInChI=1S/C13H21N3O2/c1-15-6-7-16(11(9-14)10-15)13(17)5-4-12-3-2-8-18-12/h2-3,8,11H,4-7,9-10,14H2,1H3
InChIKeyFNKJQWWMNANVMH-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.31
Rot. Bonds4

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

1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 80505042) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
PubChem CID80505042
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2ccco2)C(CN)C1
InChIInChI=1S/C13H21N3O2/c1-15-6-7-16(11(9-14)10-15)13(17)5-4-12-3-2-8-18-12/h2-3,8,11H,4-7,9-10,14H2,1H3
InChIKeyFNKJQWWMNANVMH-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 103352230
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
3-(furan-2-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79030540
1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55210563
3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one
CID 95380638
1-[2-(bromomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80659467
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 114802131
1-[2-(2-bromoethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80665660
3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one
CID 136544071
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 114509981
(2R,3R)-1-[3-(furan-2-yl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116502
2-[4-[3-(furan-2-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 66443081

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one (CID 80505042) is 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one is CN1CCN(C(=O)CCc2ccco2)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is FNKJQWWMNANVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-6-7-16(11(9-14)10-15)13(17)5-4-12-3-2-8-18-12/h2-3,8,11H,4-7,9-10,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one?
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 80505042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).