[4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone

C19H22N2OS — CID 163736264

IUPAC[4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cccc(CSc2ccncc2C(=O)N2CCCCC2)c1
InChIInChI=1S/C19H22N2OS/c1-15-6-5-7-16(12-15)14-23-18-8-9-20-13-17(18)19(22)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11,14H2,1H3
InChIKeyLDWGZODGFLAMPD-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.31
Rot. Bonds4

About [4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone

[4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 163736264) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is [4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID163736264
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name[4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cccc(CSc2ccncc2C(=O)N2CCCCC2)c1
InChIInChI=1S/C19H22N2OS/c1-15-6-5-7-16(12-15)14-23-18-8-9-20-13-17(18)19(22)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11,14H2,1H3
InChIKeyLDWGZODGFLAMPD-UHFFFAOYSA-N
XLogP4.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone (CID 163736264) is [4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone is Cc1cccc(CSc2ccncc2C(=O)N2CCCCC2)c1.
What is the InChIKey of [4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is LDWGZODGFLAMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-15-6-5-7-16(12-15)14-23-18-8-9-20-13-17(18)19(22)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11,14H2,1H3.
What are the key properties of [4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone?
[4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 326.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methylphenyl)methylsulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 163736264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).