[3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone

C18H22N4O2 — CID 122259891

IUPAC[3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCCC(Oc3ccncn3)C2)c1
InChIInChI=1S/C18H22N4O2/c1-21(2)15-6-3-5-14(11-15)18(23)22-10-4-7-16(12-22)24-17-8-9-19-13-20-17/h3,5-6,8-9,11,13,16H,4,7,10,12H2,1-2H3
InChIKeyOANSDLVERQBNAV-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.23
Rot. Bonds4

About [3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone

[3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 122259891) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID122259891
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCCC(Oc3ccncn3)C2)c1
InChIInChI=1S/C18H22N4O2/c1-21(2)15-6-3-5-14(11-15)18(23)22-10-4-7-16(12-22)24-17-8-9-19-13-20-17/h3,5-6,8-9,11,13,16H,4,7,10,12H2,1-2H3
InChIKeyOANSDLVERQBNAV-UHFFFAOYSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-benzodioxol-5-yl-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122161050
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122259782
(3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259973
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 122259783
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259988
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 126852304
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259844
[4-(dimethylamino)phenyl]-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261412
2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161054

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 122259891) is [3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone is CN(C)c1cccc(C(=O)N2CCCC(Oc3ccncn3)C2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is OANSDLVERQBNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21(2)15-6-3-5-14(11-15)18(23)22-10-4-7-16(12-22)24-17-8-9-19-13-20-17/h3,5-6,8-9,11,13,16H,4,7,10,12H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
[3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122259891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).