4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

C15H19N3O2 — CID 136706410

IUPAC4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CCCN(Cc3ccco3)C2)cc(=O)[nH]1
InChIInChI=1S/C15H19N3O2/c1-11-16-14(8-15(19)17-11)12-4-2-6-18(9-12)10-13-5-3-7-20-13/h3,5,7-8,12H,2,4,6,9-10H2,1H3,(H,16,17,19)/t12-/m0/s1
InChIKeyFBMFMHMHTLQKGQ-LBPRGKRZSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds3

About 4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136706410) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136706410
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CCCN(Cc3ccco3)C2)cc(=O)[nH]1
InChIInChI=1S/C15H19N3O2/c1-11-16-14(8-15(19)17-11)12-4-2-6-18(9-12)10-13-5-3-7-20-13/h3,5,7-8,12H,2,4,6,9-10H2,1H3,(H,16,17,19)/t12-/m0/s1
InChIKeyFBMFMHMHTLQKGQ-LBPRGKRZSA-N
XLogP2.05
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706475
2-methyl-4-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706476
1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192047
1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one
CID 136706472
2-methyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782802
2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782835
4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136762318
2-methyl-4-[(3S)-1-[(4-pyridin-2-ylphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782782
2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136697975
4-[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136782821
4-[(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136782824
4-[(3R)-1-[(4-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706417

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 136706410) is 4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc([C@H]2CCCN(Cc3ccco3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is FBMFMHMHTLQKGQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-16-14(8-15(19)17-11)12-4-2-6-18(9-12)10-13-5-3-7-20-13/h3,5,7-8,12H,2,4,6,9-10H2,1H3,(H,16,17,19)/t12-/m0/s1.
What are the key properties of 4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 273.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136706410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).