2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride

C18H24ClN3O4S — CID 120794511

IUPAC2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1)C1CCOCC1
InChIInChI=1S/C18H23N3O4S.ClH/c19-16(12-1-8-24-9-2-12)18(23)21-6-4-20(5-7-21)17(22)15-11-13-14(26-15)3-10-25-13;/h3,10-12,16H,1-2,4-9,19H2;1H
InChIKeyQDMHQDDFTZLELO-UHFFFAOYSA-N
MW413.93 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride

2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120794511) has the molecular formula C18H24ClN3O4S and a molecular weight of 413.93 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120794511
Molecular FormulaC18H24ClN3O4S
Molecular Weight413.93 g/mol
Exact Mass413.12
IUPAC Name2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1)C1CCOCC1
InChIInChI=1S/C18H23N3O4S.ClH/c19-16(12-1-8-24-9-2-12)18(23)21-6-4-20(5-7-21)17(22)15-11-13-14(26-15)3-10-25-13;/h3,10-12,16H,1-2,4-9,19H2;1H
InChIKeyQDMHQDDFTZLELO-UHFFFAOYSA-N
XLogP1.95
TPSA89.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-methoxy-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]propan-1-one
CID 120990675
2-amino-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120788398
2-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120797093
2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120786223
2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120786234
2-amino-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120786261
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120790448
2-amino-1-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120788661
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796792
2-amino-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120797085
4-[[4-(thieno[3,2-b]furan-5-carbonyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122023144
2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120800589

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride (CID 120794511) is 2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride is Cl.NC(C(=O)N1CCN(C(=O)c2cc3occc3s2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is QDMHQDDFTZLELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S.ClH/c19-16(12-1-8-24-9-2-12)18(23)21-6-4-20(5-7-21)17(22)15-11-13-14(26-15)3-10-25-13;/h3,10-12,16H,1-2,4-9,19H2;1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 413.93 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-1-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120794511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).