[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone

C13H21N3O2 — CID 63337657

IUPAC[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(C(C)CN)CC1
InChIInChI=1S/C13H21N3O2/c1-10-3-8-18-12(10)13(17)16-6-4-15(5-7-16)11(2)9-14/h3,8,11H,4-7,9,14H2,1-2H3
InChIKeyOGOKCTFWIMGCPB-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.69
Rot. Bonds3

About [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone

[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 63337657) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID63337657
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(C(C)CN)CC1
InChIInChI=1S/C13H21N3O2/c1-10-3-8-18-12(10)13(17)16-6-4-15(5-7-16)11(2)9-14/h3,8,11H,4-7,9,14H2,1-2H3
InChIKeyOGOKCTFWIMGCPB-UHFFFAOYSA-N
XLogP0.69
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 110695645
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 63337612
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 63337395
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 95346651
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 51240546
[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 43461716
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752
[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 71930814
[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 47024563
(3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 38458239

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (CID 63337657) is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCN(C(C)CN)CC1.
What is the InChIKey of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is OGOKCTFWIMGCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-3-8-18-12(10)13(17)16-6-4-15(5-7-16)11(2)9-14/h3,8,11H,4-7,9,14H2,1-2H3.
What are the key properties of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 63337657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).