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

C19H23N3O — CID 129352513

IUPAC[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
SMILESCN(C)c1cc(C(=O)N2CCC[C@H](c3ccccc3)C2)ccn1
InChIInChI=1S/C19H23N3O/c1-21(2)18-13-16(10-11-20-18)19(23)22-12-6-9-17(14-22)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3/t17-/m0/s1
InChIKeyXZKDEIVLCWHMDQ-KRWDZBQOSA-N
MW309.41 g/mol
LogP3.17
Rot. Bonds3

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

[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone (PubChem CID 129352513) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
PubChem CID129352513
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
SMILESCN(C)c1cc(C(=O)N2CCC[C@H](c3ccccc3)C2)ccn1
InChIInChI=1S/C19H23N3O/c1-21(2)18-13-16(10-11-20-18)19(23)22-12-6-9-17(14-22)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3/t17-/m0/s1
InChIKeyXZKDEIVLCWHMDQ-KRWDZBQOSA-N
XLogP3.17
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[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
[(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
[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 125027034
[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-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
(4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124970912
(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 155682211
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone (CID 129352513) is [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone is CN(C)c1cc(C(=O)N2CCC[C@H](c3ccccc3)C2)ccn1.
What is the InChIKey of [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone?
The InChIKey is XZKDEIVLCWHMDQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21(2)18-13-16(10-11-20-18)19(23)22-12-6-9-17(14-22)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3/t17-/m0/s1.
What are the key properties of [2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone?
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 3.17, 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-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 129352513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).