(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one

C20H23N3O2S — CID 42198640

IUPAC(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCc3sccc3C2)CN1CCc1ccccn1
InChIInChI=1S/C20H23N3O2S/c24-19-5-4-16(14-22(19)10-6-17-3-1-2-9-21-17)20(25)23-11-7-18-15(13-23)8-12-26-18/h1-3,8-9,12,16H,4-7,10-11,13-14H2/t16-/m0/s1
InChIKeyMLAXWTSZLCMSEV-INIZCTEOSA-N
MW369.49 g/mol
LogP2.51
Rot. Bonds4

About (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one

(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one (PubChem CID 42198640) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
PubChem CID42198640
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCc3sccc3C2)CN1CCc1ccccn1
InChIInChI=1S/C20H23N3O2S/c24-19-5-4-16(14-22(19)10-6-17-3-1-2-9-21-17)20(25)23-11-7-18-15(13-23)8-12-26-18/h1-3,8-9,12,16H,4-7,10-11,13-14H2/t16-/m0/s1
InChIKeyMLAXWTSZLCMSEV-INIZCTEOSA-N
XLogP2.51
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one with MolForge

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Related Compounds

5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 45247271
(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 26405057
(4R)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 38474545
1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one
CID 25288202
5-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 45190375
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849
(3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30876883
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 34989712
(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42291904
(3R)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 29256977
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone
CID 171995878

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one?
The IUPAC name of (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one (CID 42198640) is (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one.
What is the SMILES notation for (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one?
The canonical SMILES for (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one is O=C1CC[C@H](C(=O)N2CCc3sccc3C2)CN1CCc1ccccn1.
What is the InChIKey of (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one?
The InChIKey is MLAXWTSZLCMSEV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19-5-4-16(14-22(19)10-6-17-3-1-2-9-21-17)20(25)23-11-7-18-15(13-23)8-12-26-18/h1-3,8-9,12,16H,4-7,10-11,13-14H2/t16-/m0/s1.
What are the key properties of (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one?
(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one has a molecular weight of 369.49 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one is sourced from PubChem (CID 42198640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).