6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one

C20H26N4O3 — CID 99950657

IUPAC6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)nc(=O)[nH]1
InChIInChI=1S/C20H26N4O3/c1-14(2)10-16-11-18(23-20(26)22-16)19(25)24-9-5-7-17(12-24)27-13-15-6-3-4-8-21-15/h3-4,6,8,11,14,17H,5,7,9-10,12-13H2,1-2H3,(H,22,23,26)/t17-/m0/s1
InChIKeyRVFHSHQZJBPIRC-KRWDZBQOSA-N
MW370.45 g/mol
LogP2.18
Rot. Bonds6

About 6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one

6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one (PubChem CID 99950657) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one
PubChem CID99950657
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)nc(=O)[nH]1
InChIInChI=1S/C20H26N4O3/c1-14(2)10-16-11-18(23-20(26)22-16)19(25)24-9-5-7-17(12-24)27-13-15-6-3-4-8-21-15/h3-4,6,8,11,14,17H,5,7,9-10,12-13H2,1-2H3,(H,22,23,26)/t17-/m0/s1
InChIKeyRVFHSHQZJBPIRC-KRWDZBQOSA-N
XLogP2.18
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one with MolForge

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Related Compounds

1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
(6-methylimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97142061
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97155827
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
7-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645098
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
(2-methyl-1-benzofuran-5-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 72939536
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 126441634
(5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97137325
(3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96578119
(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 99935036

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one (CID 99950657) is 6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one is CC(C)Cc1cc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
The InChIKey is RVFHSHQZJBPIRC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(2)10-16-11-18(23-20(26)22-16)19(25)24-9-5-7-17(12-24)27-13-15-6-3-4-8-21-15/h3-4,6,8,11,14,17H,5,7,9-10,12-13H2,1-2H3,(H,22,23,26)/t17-/m0/s1.
What are the key properties of 6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one has a molecular weight of 370.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 99950657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).