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

C14H20N4O2 — CID 95557149

IUPAC1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one
SMILESCOc1ccnc(N2CCC[C@@H](N3CCCC3=O)C2)n1
InChIInChI=1S/C14H20N4O2/c1-20-12-6-7-15-14(16-12)17-8-2-4-11(10-17)18-9-3-5-13(18)19/h6-7,11H,2-5,8-10H2,1H3/t11-/m1/s1
InChIKeyIGFVTYCBNMGUPZ-LLVKDONJSA-N
MW276.34 g/mol
LogP1.08
Rot. Bonds3

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

1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one (PubChem CID 95557149) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one
PubChem CID95557149
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one
SMILESCOc1ccnc(N2CCC[C@@H](N3CCCC3=O)C2)n1
InChIInChI=1S/C14H20N4O2/c1-20-12-6-7-15-14(16-12)17-8-2-4-11(10-17)18-9-3-5-13(18)19/h6-7,11H,2-5,8-10H2,1H3/t11-/m1/s1
InChIKeyIGFVTYCBNMGUPZ-LLVKDONJSA-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

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Related Compounds

2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 126817206
(2S)-11-(4-methoxypyrimidin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 171153218
3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 154882570
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
7-(4-methoxypyrimidin-2-yl)-1,7-diazabicyclo[4.3.1]decane
CID 167867544
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 126899370
tert-butyl N-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 97007663
(3S)-N-cyclopentyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-sulfonamide
CID 124736119

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one (CID 95557149) is 1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one is COc1ccnc(N2CCC[C@@H](N3CCCC3=O)C2)n1.
What is the InChIKey of 1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is IGFVTYCBNMGUPZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-12-6-7-15-14(16-12)17-8-2-4-11(10-17)18-9-3-5-13(18)19/h6-7,11H,2-5,8-10H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one?
1-[(3R)-1-(4-methoxypyrimidin-2-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-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 95557149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).