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

C20H24N4OS — CID 53180628

IUPAC[2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cccnc1N1CCNC(c2ccccc2)C1)N1CCSCC1
InChIInChI=1S/C20H24N4OS/c25-20(23-11-13-26-14-12-23)17-7-4-8-22-19(17)24-10-9-21-18(15-24)16-5-2-1-3-6-16/h1-8,18,21H,9-15H2
InChIKeyBGIPLYSRBSPRQC-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.42
Rot. Bonds3

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

[2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone (PubChem CID 53180628) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is [2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone
PubChem CID53180628
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name[2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cccnc1N1CCNC(c2ccccc2)C1)N1CCSCC1
InChIInChI=1S/C20H24N4OS/c25-20(23-11-13-26-14-12-23)17-7-4-8-22-19(17)24-10-9-21-18(15-24)16-5-2-1-3-6-16/h1-8,18,21H,9-15H2
InChIKeyBGIPLYSRBSPRQC-UHFFFAOYSA-N
XLogP2.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone (CID 53180628) is [2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone is O=C(c1cccnc1N1CCNC(c2ccccc2)C1)N1CCSCC1.
What is the InChIKey of [2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone?
The InChIKey is BGIPLYSRBSPRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c25-20(23-11-13-26-14-12-23)17-7-4-8-22-19(17)24-10-9-21-18(15-24)16-5-2-1-3-6-16/h1-8,18,21H,9-15H2.
What are the key properties of [2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone?
[2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone has a molecular weight of 368.51 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenylpiperazin-1-yl)-3-pyridinyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 53180628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).