6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one

C19H20N4O2 — CID 124960537

IUPAC6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESCn1cc(C(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)c2ccccc21
InChIInChI=1S/C19H20N4O2/c1-22-12-15(14-6-2-3-7-17(14)22)18(24)23-10-4-5-13(11-23)16-8-9-20-19(25)21-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,21,25)/t13-/m0/s1
InChIKeyGVHGCJXUXBPVGU-ZDUSSCGKSA-N
MW336.40 g/mol
LogP2.28
Rot. Bonds2

About 6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one

6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 124960537) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID124960537
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESCn1cc(C(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)c2ccccc21
InChIInChI=1S/C19H20N4O2/c1-22-12-15(14-6-2-3-7-17(14)22)18(24)23-10-4-5-13(11-23)16-8-9-20-19(25)21-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,21,25)/t13-/m0/s1
InChIKeyGVHGCJXUXBPVGU-ZDUSSCGKSA-N
XLogP2.28
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605867
6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124990766
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247491
(1-methylindol-3-yl)-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125026162
6-[1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115079
(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 125002217
6-[(3R)-1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125007295
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124947702
6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124941958

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one (CID 124960537) is 6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one is Cn1cc(C(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)c2ccccc21.
What is the InChIKey of 6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is GVHGCJXUXBPVGU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22-12-15(14-6-2-3-7-17(14)22)18(24)23-10-4-5-13(11-23)16-8-9-20-19(25)21-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,21,25)/t13-/m0/s1.
What are the key properties of 6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 336.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 124960537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).