[5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone

C19H20Cl2N2OS — CID 58211278

IUPAC[5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cncc(CSc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H20Cl2N2OS/c1-13-5-2-3-8-23(13)19(24)15-9-14(10-22-11-15)12-25-18-16(20)6-4-7-17(18)21/h4,6-7,9-11,13H,2-3,5,8,12H2,1H3
InChIKeyYFASNVRVLQSTGF-UHFFFAOYSA-N
MW395.36 g/mol
LogP5.70
Rot. Bonds4

About [5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone

[5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 58211278) has the molecular formula C19H20Cl2N2OS and a molecular weight of 395.36 g/mol. Its IUPAC name is [5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID58211278
Molecular FormulaC19H20Cl2N2OS
Molecular Weight395.36 g/mol
Exact Mass394.07
IUPAC Name[5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cncc(CSc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H20Cl2N2OS/c1-13-5-2-3-8-23(13)19(24)15-9-14(10-22-11-15)12-25-18-16(20)6-4-7-17(18)21/h4,6-7,9-11,13H,2-3,5,8,12H2,1H3
InChIKeyYFASNVRVLQSTGF-UHFFFAOYSA-N
XLogP5.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.36
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone
CID 58211000
(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 102568289
[5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 24885402
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone
CID 58210767
[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
(4-methylpiperidin-1-yl)-[5-[(2,4,5-trichlorophenyl)sulfanylmethyl]-3-pyridinyl]methanone
CID 58210974
[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94071084
2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile
CID 82179313
[5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 10446398
(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103841523
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
[2,6-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl] thiocyanate
CID 94861980

Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone (CID 58211278) is [5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cncc(CSc2c(Cl)cccc2Cl)c1.
What is the InChIKey of [5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is YFASNVRVLQSTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2OS/c1-13-5-2-3-8-23(13)19(24)15-9-14(10-22-11-15)12-25-18-16(20)6-4-7-17(18)21/h4,6-7,9-11,13H,2-3,5,8,12H2,1H3.
What are the key properties of [5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
[5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 395.36 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 58211278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).