[1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone

C16H23N3OS — CID 163357857

IUPAC[1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2ccccn2)CC1)N1CCSCC1
InChIInChI=1S/C16H23N3OS/c20-16(19-9-11-21-12-10-19)14-4-7-18(8-5-14)13-15-3-1-2-6-17-15/h1-3,6,14H,4-5,7-13H2
InChIKeyZXVQVKSOLFEATL-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.87
Rot. Bonds3

About [1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone

[1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 163357857) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is [1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID163357857
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name[1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2ccccn2)CC1)N1CCSCC1
InChIInChI=1S/C16H23N3OS/c20-16(19-9-11-21-12-10-19)14-4-7-18(8-5-14)13-15-3-1-2-6-17-15/h1-3,6,14H,4-5,7-13H2
InChIKeyZXVQVKSOLFEATL-UHFFFAOYSA-N
XLogP1.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 118771316
(1,1-dioxothiolan-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 56809428
[(3S)-1,1-dioxothiolan-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 94474525
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357912
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 60940276
(1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90513536
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 26405057
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357788
[4-(pyridin-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60940163

Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (CID 163357857) is [1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is O=C(C1CCN(Cc2ccccn2)CC1)N1CCSCC1.
What is the InChIKey of [1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is ZXVQVKSOLFEATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c20-16(19-9-11-21-12-10-19)14-4-7-18(8-5-14)13-15-3-1-2-6-17-15/h1-3,6,14H,4-5,7-13H2.
What are the key properties of [1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
[1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 305.45 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 163357857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).