[(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone

C19H28N2O2S — CID 95207897

IUPAC[(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC(NCc2csc3c2CCCC3)CC1
InChIInChI=1S/C19H28N2O2S/c22-19(17-5-3-11-23-17)21-9-7-15(8-10-21)20-12-14-13-24-18-6-2-1-4-16(14)18/h13,15,17,20H,1-12H2/t17-/m1/s1
InChIKeyHEWDQQODXSLWOK-QGZVFWFLSA-N
MW348.51 g/mol
LogP2.89
Rot. Bonds4

About [(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone

[(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone (PubChem CID 95207897) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone
PubChem CID95207897
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name[(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC(NCc2csc3c2CCCC3)CC1
InChIInChI=1S/C19H28N2O2S/c22-19(17-5-3-11-23-17)21-9-7-15(8-10-21)20-12-14-13-24-18-6-2-1-4-16(14)18/h13,15,17,20H,1-12H2/t17-/m1/s1
InChIKeyHEWDQQODXSLWOK-QGZVFWFLSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea
CID 110819796
oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289960
2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
CID 108558758
[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
CID 156534121
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 71836280
[4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56712439
3-(4-chlorophenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 108556607
[4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 131898169
2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819750
[3-(methylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856430
N-[[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 86771475
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone (CID 95207897) is [(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone is O=C([C@H]1CCCO1)N1CCC(NCc2csc3c2CCCC3)CC1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone?
The InChIKey is HEWDQQODXSLWOK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-19(17-5-3-11-23-17)21-9-7-15(8-10-21)20-12-14-13-24-18-6-2-1-4-16(14)18/h13,15,17,20H,1-12H2/t17-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone?
[(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone has a molecular weight of 348.51 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 95207897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).