furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone

C18H22N2O2S — CID 97229852

IUPACfuran-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(N[C@@H]2CCCc3sccc32)CC1
InChIInChI=1S/C18H22N2O2S/c21-18(13-6-10-22-12-13)20-8-4-14(5-9-20)19-16-2-1-3-17-15(16)7-11-23-17/h6-7,10-12,14,16,19H,1-5,8-9H2/t16-/m1/s1
InChIKeyFGUAEMKPZBXKIX-MRXNPFEDSA-N
MW330.45 g/mol
LogP3.61
Rot. Bonds3

About furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone

furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 97229852) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone
PubChem CID97229852
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Namefuran-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(N[C@@H]2CCCc3sccc32)CC1
InChIInChI=1S/C18H22N2O2S/c21-18(13-6-10-22-12-13)20-8-4-14(5-9-20)19-16-2-1-3-17-15(16)7-11-23-17/h6-7,10-12,14,16,19H,1-5,8-9H2/t16-/m1/s1
InChIKeyFGUAEMKPZBXKIX-MRXNPFEDSA-N
XLogP3.61
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclopentyl-[(3R)-3-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]pyrrolidin-1-yl]methanone
CID 97233416
2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide
CID 62842664
1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
CID 71916232
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
CID 38197318
N-[1-(furan-3-carbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 38212637
N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63476354
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 31660307
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
CID 62841966
2,2-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-dioxan-5-amine
CID 113429660
4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoic acid
CID 62841761

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone (CID 97229852) is furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone is O=C(c1ccoc1)N1CCC(N[C@@H]2CCCc3sccc32)CC1.
What is the InChIKey of furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone?
The InChIKey is FGUAEMKPZBXKIX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-18(13-6-10-22-12-13)20-8-4-14(5-9-20)19-16-2-1-3-17-15(16)7-11-23-17/h6-7,10-12,14,16,19H,1-5,8-9H2/t16-/m1/s1.
What are the key properties of furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone?
furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 330.45 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 97229852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).