morpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone

C25H29N3O2S — CID 95839959

IUPACmorpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone
SMILESO=C(c1sc2ccccc2c1C[C@H]1CCCCN1Cc1cccnc1)N1CCOCC1
InChIInChI=1S/C25H29N3O2S/c29-25(27-12-14-30-15-13-27)24-22(21-8-1-2-9-23(21)31-24)16-20-7-3-4-11-28(20)18-19-6-5-10-26-17-19/h1-2,5-6,8-10,17,20H,3-4,7,11-16,18H2/t20-/m1/s1
InChIKeyWVGOGHSDAYNYPN-HXUWFJFHSA-N
MW435.59 g/mol
LogP4.37
Rot. Bonds5

About morpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone

morpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone (PubChem CID 95839959) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is morpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone
PubChem CID95839959
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Namemorpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone
SMILESO=C(c1sc2ccccc2c1C[C@H]1CCCCN1Cc1cccnc1)N1CCOCC1
InChIInChI=1S/C25H29N3O2S/c29-25(27-12-14-30-15-13-27)24-22(21-8-1-2-9-23(21)31-24)16-20-7-3-4-11-28(20)18-19-6-5-10-26-17-19/h1-2,5-6,8-10,17,20H,3-4,7,11-16,18H2/t20-/m1/s1
InChIKeyWVGOGHSDAYNYPN-HXUWFJFHSA-N
XLogP4.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[1-(1H-imidazol-2-ylmethyl)azepan-2-yl]methyl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 110260073
morpholin-4-yl-[3-[[(2R)-1-pyrimidin-2-ylpiperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone
CID 95830655
morpholin-4-yl-[5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone
CID 95840395
3-[[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]methyl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 95830643
(3-methyl-1-benzothiophen-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55483189
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706
morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone
CID 110253769
3-[(2-ethylpiperidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid
CID 43266639
1-[(2R)-2-[[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-benzothiophen-3-yl]methyl]azepan-1-yl]ethanone
CID 95830890

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone (CID 95839959) is morpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone is O=C(c1sc2ccccc2c1C[C@H]1CCCCN1Cc1cccnc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone?
The InChIKey is WVGOGHSDAYNYPN-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H29N3O2S/c29-25(27-12-14-30-15-13-27)24-22(21-8-1-2-9-23(21)31-24)16-20-7-3-4-11-28(20)18-19-6-5-10-26-17-19/h1-2,5-6,8-10,17,20H,3-4,7,11-16,18H2/t20-/m1/s1.
What are the key properties of morpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone?
morpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone has a molecular weight of 435.59 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-[[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]-1-benzothiophen-2-yl]methanone is sourced from PubChem (CID 95839959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).