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

C20H25N3O — CID 125474294

IUPAC[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccc([C@H]2CCCN(C(=O)c3ccnc(N(C)C)c3)C2)cc1
InChIInChI=1S/C20H25N3O/c1-15-6-8-16(9-7-15)18-5-4-12-23(14-18)20(24)17-10-11-21-19(13-17)22(2)3/h6-11,13,18H,4-5,12,14H2,1-3H3/t18-/m0/s1
InChIKeySYIMSJKOLQJRNV-SFHVURJKSA-N
MW323.44 g/mol
LogP3.48
Rot. Bonds3

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

[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone (PubChem CID 125474294) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
PubChem CID125474294
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccc([C@H]2CCCN(C(=O)c3ccnc(N(C)C)c3)C2)cc1
InChIInChI=1S/C20H25N3O/c1-15-6-8-16(9-7-15)18-5-4-12-23(14-18)20(24)17-10-11-21-19(13-17)22(2)3/h6-11,13,18H,4-5,12,14H2,1-3H3/t18-/m0/s1
InChIKeySYIMSJKOLQJRNV-SFHVURJKSA-N
XLogP3.48
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.48
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
[3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 152513618
[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 125474114
1,3-benzodioxol-5-yl-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124955424
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
3-[3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 110105858
(4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124970912
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 146361758
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497
3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 125023343

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone (CID 125474294) is [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone is Cc1ccc([C@H]2CCCN(C(=O)c3ccnc(N(C)C)c3)C2)cc1.
What is the InChIKey of [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is SYIMSJKOLQJRNV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-6-8-16(9-7-15)18-5-4-12-23(14-18)20(24)17-10-11-21-19(13-17)22(2)3/h6-11,13,18H,4-5,12,14H2,1-3H3/t18-/m0/s1.
What are the key properties of [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone?
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 323.44 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 125474294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).