[4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone

C25H27N3O2 — CID 166180817

IUPAC[4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone
SMILESCN(C)c1ccc(C2CCN(C(=O)c3ccc(Oc4ccccc4)cn3)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-27(2)21-10-8-19(9-11-21)20-14-16-28(17-15-20)25(29)24-13-12-23(18-26-24)30-22-6-4-3-5-7-22/h3-13,18,20H,14-17H2,1-2H3
InChIKeyHIGJKXFHKKMAJP-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.96
Rot. Bonds5

About [4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone

[4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone (PubChem CID 166180817) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is [4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone
PubChem CID166180817
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name[4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone
SMILESCN(C)c1ccc(C2CCN(C(=O)c3ccc(Oc4ccccc4)cn3)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-27(2)21-10-8-19(9-11-21)20-14-16-28(17-15-20)25(29)24-13-12-23(18-26-24)30-22-6-4-3-5-7-22/h3-13,18,20H,14-17H2,1-2H3
InChIKeyHIGJKXFHKKMAJP-UHFFFAOYSA-N
XLogP4.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 81310359
(3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone
CID 166232036
[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 139416324
(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
CID 15225155
[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95822714
[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109189255
tert-butyl 3-[4-(dimethylamino)phenyl]pyrrolidine-1-carboxylate
CID 151030118
3-[4-[methyl(phenoxycarbonyl)amino]phenyl]pyrrolidine-1-carboxylic acid
CID 129307503
[(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 93013241
(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone
CID 46032979
4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide
CID 163208528
[(3aR,8aS)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl]-(5-phenylmethoxy-2-pyridinyl)methanone
CID 138030993

Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone?
The IUPAC name of [4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone (CID 166180817) is [4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone?
The canonical SMILES for [4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone is CN(C)c1ccc(C2CCN(C(=O)c3ccc(Oc4ccccc4)cn3)CC2)cc1.
What is the InChIKey of [4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone?
The InChIKey is HIGJKXFHKKMAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-27(2)21-10-8-19(9-11-21)20-14-16-28(17-15-20)25(29)24-13-12-23(18-26-24)30-22-6-4-3-5-7-22/h3-13,18,20H,14-17H2,1-2H3.
What are the key properties of [4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone?
[4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone has a molecular weight of 401.51 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone is sourced from PubChem (CID 166180817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).