1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one

C14H20N4O2 — CID 56870950

IUPAC1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one
SMILESCOc1cc(N2CCCC(N3CCCC3=O)C2)ncn1
InChIInChI=1S/C14H20N4O2/c1-20-13-8-12(15-10-16-13)17-6-2-4-11(9-17)18-7-3-5-14(18)19/h8,10-11H,2-7,9H2,1H3
InChIKeyYNBGNSUGXXVPOA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.08
Rot. Bonds3

About 1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one

1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one (PubChem CID 56870950) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one
PubChem CID56870950
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one
SMILESCOc1cc(N2CCCC(N3CCCC3=O)C2)ncn1
InChIInChI=1S/C14H20N4O2/c1-20-13-8-12(15-10-16-13)17-6-2-4-11(9-17)18-7-3-5-14(18)19/h8,10-11H,2-7,9H2,1H3
InChIKeyYNBGNSUGXXVPOA-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 53511842
2-[4-[(4-Methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56821485
7-Isopropyl-2-(4-methoxypyrimidin-2-YL)-2,7-diazaspiro[4.5]decan-6-one
CID 72904636
2-[(3aR,6aS)-2-(6-methoxypyrimidin-4-yl)-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N,N-dimethylacetamide
CID 97413119
(3aR,7aR)-5-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97510854
(3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 39830961
(8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368713
8-(4-Methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 75396073
[(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95724778
(2S)-1-(6-ethoxypyrimidin-4-yl)-N,N-diethylpyrrolidine-2-carboxamide
CID 97839669
(3S)-3-[(4-methoxypyrimidin-2-yl)-methylamino]-1-prop-2-enylpyrrolidin-2-one
CID 124294636
(4R)-4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one
CID 129624523

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one (CID 56870950) is 1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one is COc1cc(N2CCCC(N3CCCC3=O)C2)ncn1.
What is the InChIKey of 1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is YNBGNSUGXXVPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-13-8-12(15-10-16-13)17-6-2-4-11(9-17)18-7-3-5-14(18)19/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one?
1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 56870950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).