1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone

C17H19N3OS — CID 891632

IUPAC1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3OS/c21-17(14-22-16-8-4-5-9-18-16)20-12-10-19(11-13-20)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyFRRPHOKFQBNERL-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.52
Rot. Bonds4

About 1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone

1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone (PubChem CID 891632) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone
PubChem CID891632
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3OS/c21-17(14-22-16-8-4-5-9-18-16)20-12-10-19(11-13-20)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyFRRPHOKFQBNERL-UHFFFAOYSA-N
XLogP2.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide
CID 2303967
N-cyclohexyl-N-ethyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341621
N-ethyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-phenylacetamide
CID 2342406
1-(Azepan-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2342507
N-cyclohexyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2413718
N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 4878299
3-(2-Fluorophenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 5043540
2-(4-Morpholinyl)-2-oxoethyl 2-pyridinyl sulfide
CID 592408
1-[(Pyridin-2-ylsulfanyl)acetyl]piperidine-4-carboxamide
CID 718972
N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2055031
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2341018
3-Phenyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3237434

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone (CID 891632) is 1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone is O=C(CSc1ccccn1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone?
The InChIKey is FRRPHOKFQBNERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-17(14-22-16-8-4-5-9-18-16)20-12-10-19(11-13-20)15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone?
1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone has a molecular weight of 313.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 891632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).