[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone

C19H22ClN3O — CID 125474114

IUPAC[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
SMILESCN(C)c1cc(C(=O)N2CCC[C@H](c3ccccc3Cl)C2)ccn1
InChIInChI=1S/C19H22ClN3O/c1-22(2)18-12-14(9-10-21-18)19(24)23-11-5-6-15(13-23)16-7-3-4-8-17(16)20/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-/m0/s1
InChIKeyKSZYNQSHUSMPLO-HNNXBMFYSA-N
MW343.86 g/mol
LogP3.82
Rot. Bonds3

About [(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone

[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone (PubChem CID 125474114) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is [(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
PubChem CID125474114
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
SMILESCN(C)c1cc(C(=O)N2CCC[C@H](c3ccccc3Cl)C2)ccn1
InChIInChI=1S/C19H22ClN3O/c1-22(2)18-12-14(9-10-21-18)19(24)23-11-5-6-15(13-23)16-7-3-4-8-17(16)20/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-/m0/s1
InChIKeyKSZYNQSHUSMPLO-HNNXBMFYSA-N
XLogP3.82
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
CID 125474294
[3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 152513618
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 146361758
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
[2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride
CID 120738567
(4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124970912
1,3-benzodioxol-5-yl-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124955424
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 97139854
[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 125027034

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone?
The IUPAC name of [(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone (CID 125474114) is [(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone?
The canonical SMILES for [(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone is CN(C)c1cc(C(=O)N2CCC[C@H](c3ccccc3Cl)C2)ccn1.
What is the InChIKey of [(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone?
The InChIKey is KSZYNQSHUSMPLO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-22(2)18-12-14(9-10-21-18)19(24)23-11-5-6-15(13-23)16-7-3-4-8-17(16)20/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of [(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone?
[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone has a molecular weight of 343.86 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 125474114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).