[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone

C15H20ClN3OS — CID 163357788

IUPAC[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ncccc2Cl)CC1)N1CCSCC1
InChIInChI=1S/C15H20ClN3OS/c16-13-2-1-5-17-14(13)18-6-3-12(4-7-18)15(20)19-8-10-21-11-9-19/h1-2,5,12H,3-4,6-11H2
InChIKeyYZTWBSKPJKZPES-UHFFFAOYSA-N
MW325.87 g/mol
LogP2.53
Rot. Bonds2

About [1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone

[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 163357788) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is [1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID163357788
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ncccc2Cl)CC1)N1CCSCC1
InChIInChI=1S/C15H20ClN3OS/c16-13-2-1-5-17-14(13)18-6-3-12(4-7-18)15(20)19-8-10-21-11-9-19/h1-2,5,12H,3-4,6-11H2
InChIKeyYZTWBSKPJKZPES-UHFFFAOYSA-N
XLogP2.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434788
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124594638
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163358227
[1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 71825179
[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163343452
(4R)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 94525523
(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435156
[1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357857
[1-[4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzoyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 142637069
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357851
(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435539

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (CID 163357788) is [1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is O=C(C1CCN(c2ncccc2Cl)CC1)N1CCSCC1.
What is the InChIKey of [1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is YZTWBSKPJKZPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c16-13-2-1-5-17-14(13)18-6-3-12(4-7-18)15(20)19-8-10-21-11-9-19/h1-2,5,12H,3-4,6-11H2.
What are the key properties of [1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 325.87 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 163357788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).