3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

C25H32N4O3 — CID 110248286

IUPAC3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCCC1c1nc(C)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C25H32N4O3/c1-18-26-17-20(25(31)28-14-6-3-7-15-28)24(27-18)21-10-8-16-29(21)23(30)13-12-19-9-4-5-11-22(19)32-2/h4-5,9,11,17,21H,3,6-8,10,12-16H2,1-2H3
InChIKeyPAZAMXMXAXSKQU-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.72
Rot. Bonds6

About 3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110248286) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID110248286
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCCC1c1nc(C)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C25H32N4O3/c1-18-26-17-20(25(31)28-14-6-3-7-15-28)24(27-18)21-10-8-16-29(21)23(30)13-12-19-9-4-5-11-22(19)32-2/h4-5,9,11,17,21H,3,6-8,10,12-16H2,1-2H3
InChIKeyPAZAMXMXAXSKQU-UHFFFAOYSA-N
XLogP3.72
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one 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

2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110248302
N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 132767196
2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110248296
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119434924
N-cyclohexyl-4-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640451
3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
CID 71837780
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 110247872
4-[1-[3-(4-chlorophenyl)propanoyl]pyrrolidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 155982964
4-(2-fluorophenoxy)-1-[(2S)-2-[4-methyl-5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 92637374
1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110368073

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one (CID 110248286) is 3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one is COc1ccccc1CCC(=O)N1CCCC1c1nc(C)ncc1C(=O)N1CCCCC1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is PAZAMXMXAXSKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-18-26-17-20(25(31)28-14-6-3-7-15-28)24(27-18)21-10-8-16-29(21)23(30)13-12-19-9-4-5-11-22(19)32-2/h4-5,9,11,17,21H,3,6-8,10,12-16H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?
3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 436.56 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110248286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).