1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one

C19H20N4O2 — CID 167839815

IUPAC1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one
SMILESO=C1CCN(c2ncc(-c3cccc(C4CCNC4=O)c3)cn2)CC1
InChIInChI=1S/C19H20N4O2/c24-16-5-8-23(9-6-16)19-21-11-15(12-22-19)13-2-1-3-14(10-13)17-4-7-20-18(17)25/h1-3,10-12,17H,4-9H2,(H,20,25)
InChIKeyOEUVSBVXOCQVSS-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.92
Rot. Bonds3

About 1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one

1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one (PubChem CID 167839815) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one
PubChem CID167839815
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one
SMILESO=C1CCN(c2ncc(-c3cccc(C4CCNC4=O)c3)cn2)CC1
InChIInChI=1S/C19H20N4O2/c24-16-5-8-23(9-6-16)19-21-11-15(12-22-19)13-2-1-3-14(10-13)17-4-7-20-18(17)25/h1-3,10-12,17H,4-9H2,(H,20,25)
InChIKeyOEUVSBVXOCQVSS-UHFFFAOYSA-N
XLogP1.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one
CID 116976534
ethane;2-hydroxy-6-(2-morpholin-4-ylpyrimidin-5-yl)cyclohepta-2,4,6-trien-1-one
CID 156729078
1-(5-methylpyrimidin-2-yl)piperidin-4-one
CID 63208322
1-[5-[2-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-2-yl]piperidin-4-one
CID 126562974
1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]-1,4-diazepan-5-one
CID 136570469
N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 20972451
1-[5-(4-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-one
CID 116976898
3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
CID 141265351
1-(5-pyridin-3-ylpyrimidin-2-yl)piperidine-4-carbonitrile
CID 116976251
4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-one
CID 72943398
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
CID 141370863
(3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469532

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one?
The IUPAC name of 1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one (CID 167839815) is 1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one?
The canonical SMILES for 1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one is O=C1CCN(c2ncc(-c3cccc(C4CCNC4=O)c3)cn2)CC1.
What is the InChIKey of 1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one?
The InChIKey is OEUVSBVXOCQVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-16-5-8-23(9-6-16)19-21-11-15(12-22-19)13-2-1-3-14(10-13)17-4-7-20-18(17)25/h1-3,10-12,17H,4-9H2,(H,20,25).
What are the key properties of 1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one?
1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one has a molecular weight of 336.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(2-oxopyrrolidin-3-yl)phenyl]pyrimidin-2-yl]piperidin-4-one is sourced from PubChem (CID 167839815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).