2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one

C15H19N3O4S — CID 120990675

IUPAC2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1
InChIInChI=1S/C15H19N3O4S/c1-21-9-10(16)14(19)17-3-5-18(6-4-17)15(20)13-8-11-12(23-13)2-7-22-11/h2,7-8,10H,3-6,9,16H2,1H3
InChIKeyVPKSYHSTVOTBTM-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.75
Rot. Bonds4

About 2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one

2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 120990675) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID120990675
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1
InChIInChI=1S/C15H19N3O4S/c1-21-9-10(16)14(19)17-3-5-18(6-4-17)15(20)13-8-11-12(23-13)2-7-22-11/h2,7-8,10H,3-6,9,16H2,1H3
InChIKeyVPKSYHSTVOTBTM-UHFFFAOYSA-N
XLogP0.75
TPSA89.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 120794511
2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988456
4-[[4-(thieno[3,2-b]furan-5-carbonyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122023144
2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120985449
2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988690
2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120984969
[2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone
CID 167812447
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988113
2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one
CID 120986261
2-amino-3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 81088519
2-amino-3-methoxy-1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120986280
2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 120987692

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one (CID 120990675) is 2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one is COCC(N)C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1.
What is the InChIKey of 2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is VPKSYHSTVOTBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-21-9-10(16)14(19)17-3-5-18(6-4-17)15(20)13-8-11-12(23-13)2-7-22-11/h2,7-8,10H,3-6,9,16H2,1H3.
What are the key properties of 2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one?
2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 337.40 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 120990675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).