1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one

C15H24N2O3S — CID 103505516

IUPAC1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one
SMILESCOc1c(N2CCC(C)(O)CC2)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C15H24N2O3S/c1-9(2)11(18)13-10(16)12(20-4)14(21-13)17-7-5-15(3,19)6-8-17/h9,19H,5-8,16H2,1-4H3
InChIKeyQINLSRCEZFLZBW-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.53
Rot. Bonds4

About 1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103505516) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one
PubChem CID103505516
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one
SMILESCOc1c(N2CCC(C)(O)CC2)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C15H24N2O3S/c1-9(2)11(18)13-10(16)12(20-4)14(21-13)17-7-5-15(3,19)6-8-17/h9,19H,5-8,16H2,1-4H3
InChIKeyQINLSRCEZFLZBW-UHFFFAOYSA-N
XLogP2.53
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103419843
1-[3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103417342
3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789
1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103422782
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506593
methyl 3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 103505518
3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103417307
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 103506539
methyl 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxythiophene-2-carboxylate
CID 106840044
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
methyl 3-amino-5-(4-hydroxy-4-methylazepan-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 107409250
3-amino-5-(azocan-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103420679

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one (CID 103505516) is 1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one is COc1c(N2CCC(C)(O)CC2)sc(C(=O)C(C)C)c1N.
What is the InChIKey of 1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is QINLSRCEZFLZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-9(2)11(18)13-10(16)12(20-4)14(21-13)17-7-5-15(3,19)6-8-17/h9,19H,5-8,16H2,1-4H3.
What are the key properties of 1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 312.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103505516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).