4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one

C19H25BrN4O4 — CID 122259056

IUPAC4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCOCC2)C1)N1CCCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C19H25BrN4O4/c20-14-9-21-19(22-10-14)28-16-2-1-5-23(12-16)18(26)13-8-17(25)24(11-13)15-3-6-27-7-4-15/h9-10,13,15-16H,1-8,11-12H2
InChIKeyULDDILKNMQZTEU-UHFFFAOYSA-N
MW453.34 g/mol
LogP1.64
Rot. Bonds4

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

4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 122259056) has the molecular formula C19H25BrN4O4 and a molecular weight of 453.34 g/mol. Its IUPAC name is 4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
PubChem CID122259056
Molecular FormulaC19H25BrN4O4
Molecular Weight453.34 g/mol
Exact Mass452.11
IUPAC Name4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCOCC2)C1)N1CCCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C19H25BrN4O4/c20-14-9-21-19(22-10-14)28-16-2-1-5-23(12-16)18(26)13-8-17(25)24(11-13)15-3-6-27-7-4-15/h9-10,13,15-16H,1-8,11-12H2
InChIKeyULDDILKNMQZTEU-UHFFFAOYSA-N
XLogP1.64
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628066
(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 100612118
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone
CID 122258964
4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 122259392
4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
CID 90567956
1-(3-methoxyphenyl)-4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 122257345
ethyl 4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 90567791
3-(5-bromopyrimidin-2-yl)oxy-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122259108
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258916
5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 122259236
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 122258823

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one (CID 122259056) is 4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one is O=C(C1CC(=O)N(C2CCOCC2)C1)N1CCCC(Oc2ncc(Br)cn2)C1.
What is the InChIKey of 4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
The InChIKey is ULDDILKNMQZTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O4/c20-14-9-21-19(22-10-14)28-16-2-1-5-23(12-16)18(26)13-8-17(25)24(11-13)15-3-6-27-7-4-15/h9-10,13,15-16H,1-8,11-12H2.
What are the key properties of 4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 453.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 122259056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).