(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone

C18H18Cl2N2O — CID 97144676

IUPAC(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
SMILESCc1c(Cl)cc(C(=O)N2CCCC[C@@H]2c2ccccn2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O/c1-12-14(19)10-13(11-15(12)20)18(23)22-9-5-3-7-17(22)16-6-2-4-8-21-16/h2,4,6,8,10-11,17H,3,5,7,9H2,1H3/t17-/m1/s1
InChIKeyYHMJMKYCEALAOL-QGZVFWFLSA-N
MW349.26 g/mol
LogP5.06
Rot. Bonds2

About (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone

(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone (PubChem CID 97144676) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
PubChem CID97144676
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
SMILESCc1c(Cl)cc(C(=O)N2CCCC[C@@H]2c2ccccn2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O/c1-12-14(19)10-13(11-15(12)20)18(23)22-9-5-3-7-17(22)16-6-2-4-8-21-16/h2,4,6,8,10-11,17H,3,5,7,9H2,1H3/t17-/m1/s1
InChIKeyYHMJMKYCEALAOL-QGZVFWFLSA-N
XLogP5.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone with MolForge

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Related Compounds

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(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
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(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
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[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 66869206
1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 70759267
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(5-methyl-1,3-oxazol-4-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
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(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
[(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 97137913
(3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 77084225
(2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The IUPAC name of (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone (CID 97144676) is (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone is Cc1c(Cl)cc(C(=O)N2CCCC[C@@H]2c2ccccn2)cc1Cl.
What is the InChIKey of (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The InChIKey is YHMJMKYCEALAOL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-12-14(19)10-13(11-15(12)20)18(23)22-9-5-3-7-17(22)16-6-2-4-8-21-16/h2,4,6,8,10-11,17H,3,5,7,9H2,1H3/t17-/m1/s1.
What are the key properties of (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone?
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone has a molecular weight of 349.26 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 97144676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).