1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one

C21H24N4O4 — CID 90558754

IUPAC1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCC(Oc4ncccn4)CC3)CC2=O)cc1
InChIInChI=1S/C21H24N4O4/c1-28-17-5-3-16(4-6-17)25-14-15(13-19(25)26)20(27)24-11-7-18(8-12-24)29-21-22-9-2-10-23-21/h2-6,9-10,15,18H,7-8,11-14H2,1H3
InChIKeyOKHGFHOTFAJAQI-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.91
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one

1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 90558754) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID90558754
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCC(Oc4ncccn4)CC3)CC2=O)cc1
InChIInChI=1S/C21H24N4O4/c1-28-17-5-3-16(4-6-17)25-14-15(13-19(25)26)20(27)24-11-7-18(8-12-24)29-21-22-9-2-10-23-21/h2-6,9-10,15,18H,7-8,11-14H2,1H3
InChIKeyOKHGFHOTFAJAQI-UHFFFAOYSA-N
XLogP1.91
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90566419
4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 112836587
4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 122259392
1-(4-methoxyphenyl)-4-(3-pyridin-2-yloxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 122247205
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
1-(3-methoxyphenyl)-4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 122257345
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one
CID 121187367
(4S)-1-(4-methoxyphenyl)-4-[4-(3-methylbut-2-enoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29134485
(4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29135200
1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 71798630
1-(4-methoxyphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42650428

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one (CID 90558754) is 1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCC(Oc4ncccn4)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is OKHGFHOTFAJAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-28-17-5-3-16(4-6-17)25-14-15(13-19(25)26)20(27)24-11-7-18(8-12-24)29-21-22-9-2-10-23-21/h2-6,9-10,15,18H,7-8,11-14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 396.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 90558754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).