(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one

C17H23N3O2S — CID 26405057

IUPAC(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCSCC2)CN1CCc1ccccn1
InChIInChI=1S/C17H23N3O2S/c21-16-5-4-14(17(22)19-9-11-23-12-10-19)13-20(16)8-6-15-3-1-2-7-18-15/h1-3,7,14H,4-6,8-13H2/t14-/m1/s1
InChIKeyQIZPEHUEOFJURD-CQSZACIVSA-N
MW333.46 g/mol
LogP1.44
Rot. Bonds4

About (5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one

(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one (PubChem CID 26405057) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
PubChem CID26405057
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCSCC2)CN1CCc1ccccn1
InChIInChI=1S/C17H23N3O2S/c21-16-5-4-14(17(22)19-9-11-23-12-10-19)13-20(16)8-6-15-3-1-2-7-18-15/h1-3,7,14H,4-6,8-13H2/t14-/m1/s1
InChIKeyQIZPEHUEOFJURD-CQSZACIVSA-N
XLogP1.44
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 45247271
(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 42198640
1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one
CID 25288202
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
(3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30876883
(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42291904
[1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357857
5-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 45190375
1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 72865091
(5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one
CID 25275352
1-(2-phenylethyl)-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51262946
(3R)-6-oxo-N-(2-propan-2-yloxyethyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97155814

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The IUPAC name of (5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one (CID 26405057) is (5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one.
What is the SMILES notation for (5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The canonical SMILES for (5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one is O=C1CC[C@@H](C(=O)N2CCSCC2)CN1CCc1ccccn1.
What is the InChIKey of (5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The InChIKey is QIZPEHUEOFJURD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O2S/c21-16-5-4-14(17(22)19-9-11-23-12-10-19)13-20(16)8-6-15-3-1-2-7-18-15/h1-3,7,14H,4-6,8-13H2/t14-/m1/s1.
What are the key properties of (5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one has a molecular weight of 333.46 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one is sourced from PubChem (CID 26405057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).