2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C24H30N4O4 — CID 110248302

IUPAC2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCCC1c1nc(C)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C24H30N4O4/c1-17-25-15-18(24(30)27-12-6-3-7-13-27)23(26-17)19-9-8-14-28(19)22(29)16-32-21-11-5-4-10-20(21)31-2/h4-5,10-11,15,19H,3,6-9,12-14,16H2,1-2H3
InChIKeyBVQXLBSSYIBSLD-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.16
Rot. Bonds6

About 2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110248302) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID110248302
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCCC1c1nc(C)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C24H30N4O4/c1-17-25-15-18(24(30)27-12-6-3-7-13-27)23(26-17)19-9-8-14-28(19)22(29)16-32-21-11-5-4-10-20(21)31-2/h4-5,10-11,15,19H,3,6-9,12-14,16H2,1-2H3
InChIKeyBVQXLBSSYIBSLD-UHFFFAOYSA-N
XLogP3.16
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110248286
1-[(2S)-2-[4-methyl-5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]-2-(2-propan-2-ylphenoxy)ethanone
CID 92637353
2-(2,6-dimethoxyphenoxy)-1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218157
2-(4-fluorophenoxy)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110247587
2-(2,4-difluorophenoxy)-1-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92637446
1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 40875998
2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 124843390
2-methoxy-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110247862
2-cyclopentyl-1-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110248296
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92555831

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 110248302) is 2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is COc1ccccc1OCC(=O)N1CCCC1c1nc(C)ncc1C(=O)N1CCCCC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is BVQXLBSSYIBSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-17-25-15-18(24(30)27-12-6-3-7-13-27)23(26-17)19-9-8-14-28(19)22(29)16-32-21-11-5-4-10-20(21)31-2/h4-5,10-11,15,19H,3,6-9,12-14,16H2,1-2H3.
What are the key properties of 2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 438.53 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110248302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).