(3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one

C18H26N2O2S — CID 42213735

IUPAC(3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one
SMILESO=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCc2sccc2C1
InChIInChI=1S/C18H26N2O2S/c21-17-18(22,7-2-8-20(17)11-14-3-1-4-14)13-19-9-5-16-15(12-19)6-10-23-16/h6,10,14,22H,1-5,7-9,11-13H2/t18-/m1/s1
InChIKeyVWHSLJRLMLLAMT-GOSISDBHSA-N
MW334.49 g/mol
LogP2.26
Rot. Bonds4

About (3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one

(3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one (PubChem CID 42213735) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is (3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one
PubChem CID42213735
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name(3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one
SMILESO=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCc2sccc2C1
InChIInChI=1S/C18H26N2O2S/c21-17-18(22,7-2-8-20(17)11-14-3-1-4-14)13-19-9-5-16-15(12-19)6-10-23-16/h6,10,14,22H,1-5,7-9,11-13H2/t18-/m1/s1
InChIKeyVWHSLJRLMLLAMT-GOSISDBHSA-N
XLogP2.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one
CID 42363388
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CID 29021771
1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one
CID 45219636
(3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
CID 42565885
(3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one
CID 42214263
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-amine
CID 54928022
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde
CID 62277127
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[[2-(3-methylthiophen-2-yl)ethylamino]methyl]piperidin-2-one
CID 95198454
1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 45237725
N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 56758793
3-[(cyclobutylamino)methyl]-1-(cyclohexylmethyl)-3-hydroxypiperidin-2-one
CID 45201622
4-[4-[[(3R)-1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 95191684

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one?
The IUPAC name of (3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one (CID 42213735) is (3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one is O=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCc2sccc2C1.
What is the InChIKey of (3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one?
The InChIKey is VWHSLJRLMLLAMT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-17-18(22,7-2-8-20(17)11-14-3-1-4-14)13-19-9-5-16-15(12-19)6-10-23-16/h6,10,14,22H,1-5,7-9,11-13H2/t18-/m1/s1.
What are the key properties of (3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one?
(3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one has a molecular weight of 334.49 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 42213735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).