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

C15H20ClN3OS — CID 155800075

IUPAC[1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCCN(c2ccncc2Cl)C1)N1CCSCC1
InChIInChI=1S/C15H20ClN3OS/c16-13-10-17-4-3-14(13)19-5-1-2-12(11-19)15(20)18-6-8-21-9-7-18/h3-4,10,12H,1-2,5-9,11H2
InChIKeyUJNKVDBBYNNBHN-UHFFFAOYSA-N
MW325.87 g/mol
LogP2.53
Rot. Bonds2

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

[1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 155800075) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is [1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID155800075
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name[1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCCN(c2ccncc2Cl)C1)N1CCSCC1
InChIInChI=1S/C15H20ClN3OS/c16-13-10-17-4-3-14(13)19-5-1-2-12(11-19)15(20)18-6-8-21-9-7-18/h3-4,10,12H,1-2,5-9,11H2
InChIKeyUJNKVDBBYNNBHN-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

Analyze [1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone with MolForge

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Related Compounds

methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455
1-(3-chloro-4-pyridinyl)-N-cyclopropylpiperidine-3-carboxamide
CID 165434408
1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 71977836
[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163345044
[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434788
[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163343452
[1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155799937
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800806
(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
CID 163346136
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357788
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 84589797
2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814280

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone (CID 155800075) is [1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone is O=C(C1CCCN(c2ccncc2Cl)C1)N1CCSCC1.
What is the InChIKey of [1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is UJNKVDBBYNNBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c16-13-10-17-4-3-14(13)19-5-1-2-12(11-19)15(20)18-6-8-21-9-7-18/h3-4,10,12H,1-2,5-9,11H2.
What are the key properties of [1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
[1-(3-chloro-4-pyridinyl)piperidin-3-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-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 155800075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).