[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone

C22H28N4O2 — CID 92628253

IUPAC[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)c2cc(C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C22H28N4O2/c1-16-14-19(24-22(23-16)25-11-4-3-5-12-25)21(27)26-13-7-10-20(26)17-8-6-9-18(15-17)28-2/h6,8-9,14-15,20H,3-5,7,10-13H2,1-2H3/t20-/m1/s1
InChIKeyVJJPRUJVIZXKDL-HXUWFJFHSA-N
MW380.49 g/mol
LogP3.76
Rot. Bonds4

About [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone

[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 92628253) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
PubChem CID92628253
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)c2cc(C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C22H28N4O2/c1-16-14-19(24-22(23-16)25-11-4-3-5-12-25)21(27)26-13-7-10-20(26)17-8-6-9-18(15-17)28-2/h6,8-9,14-15,20H,3-5,7,10-13H2,1-2H3/t20-/m1/s1
InChIKeyVJJPRUJVIZXKDL-HXUWFJFHSA-N
XLogP3.76
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-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

bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 51648656
(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 99948415
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46974535
6-[2-(3-methoxyphenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70774580
(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 131949881
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(1-pyridin-4-ylpyrazol-3-yl)methanone
CID 166233083
(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51929591
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone (CID 92628253) is [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone is COc1cccc([C@H]2CCCN2C(=O)c2cc(C)nc(N3CCCCC3)n2)c1.
What is the InChIKey of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is VJJPRUJVIZXKDL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-14-19(24-22(23-16)25-11-4-3-5-12-25)21(27)26-13-7-10-20(26)17-8-6-9-18(15-17)28-2/h6,8-9,14-15,20H,3-5,7,10-13H2,1-2H3/t20-/m1/s1.
What are the key properties of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 380.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 92628253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).