4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one

C21H23ClN4O4 — CID 122259392

IUPAC4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCCC(Oc4ncc(Cl)cn4)C3)CC2=O)cc1
InChIInChI=1S/C21H23ClN4O4/c1-29-17-6-4-16(5-7-17)26-12-14(9-19(26)27)20(28)25-8-2-3-18(13-25)30-21-23-10-15(22)11-24-21/h4-7,10-11,14,18H,2-3,8-9,12-13H2,1H3
InChIKeyFYJMZTIXJBLOAN-UHFFFAOYSA-N
MW430.89 g/mol
LogP2.56
Rot. Bonds5

About 4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one

4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 122259392) has the molecular formula C21H23ClN4O4 and a molecular weight of 430.89 g/mol. Its IUPAC name is 4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID122259392
Molecular FormulaC21H23ClN4O4
Molecular Weight430.89 g/mol
Exact Mass430.14
IUPAC Name4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCCC(Oc4ncc(Cl)cn4)C3)CC2=O)cc1
InChIInChI=1S/C21H23ClN4O4/c1-29-17-6-4-16(5-7-17)26-12-14(9-19(26)27)20(28)25-8-2-3-18(13-25)30-21-23-10-15(22)11-24-21/h4-7,10-11,14,18H,2-3,8-9,12-13H2,1H3
InChIKeyFYJMZTIXJBLOAN-UHFFFAOYSA-N
XLogP2.56
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 122257345
1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90558754
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 122259305
5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 122259236
ethyl 1-[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 6459232
1-(4-methoxyphenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119398709
1-(4-methoxyphenyl)-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90566419
(3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95579738
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-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 122261546

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one (CID 122259392) is 4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCCC(Oc4ncc(Cl)cn4)C3)CC2=O)cc1.
What is the InChIKey of 4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is FYJMZTIXJBLOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4/c1-29-17-6-4-16(5-7-17)26-12-14(9-19(26)27)20(28)25-8-2-3-18(13-25)30-21-23-10-15(22)11-24-21/h4-7,10-11,14,18H,2-3,8-9,12-13H2,1H3.
What are the key properties of 4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 430.89 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 122259392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).