2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone

C18H20N4O — CID 653143

IUPAC2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2ncccn2)C1)N1CCc2ccccc21
InChIInChI=1S/C18H20N4O/c23-17(22-12-8-14-5-1-2-7-16(14)22)15-6-3-11-21(13-15)18-19-9-4-10-20-18/h1-2,4-5,7,9-10,15H,3,6,8,11-13H2
InChIKeyCWHRJIRVZJMJMS-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.28
Rot. Bonds2

About 2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone

2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone (PubChem CID 653143) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
PubChem CID653143
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2ncccn2)C1)N1CCc2ccccc21
InChIInChI=1S/C18H20N4O/c23-17(22-12-8-14-5-1-2-7-16(14)22)15-6-3-11-21(13-15)18-19-9-4-10-20-18/h1-2,4-5,7,9-10,15H,3,6,8,11-13H2
InChIKeyCWHRJIRVZJMJMS-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3s)-1-{(2s)-2-Cyclohexyl-2-[(N-Methyl-L-Alanyl)amino]acetyl}-3-Methyl-N-(2-Pyrimidin-2-Ylphenyl)-L-Prolinamide
CID 42609700
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-pyrimidin-2-ylphenyl)pyrrolidine-2-carboxamide
CID 44237041
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (2-ethyl-phenyl)-amide
CID 3221260
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (2,4-dimethyl-phenyl)-amide
CID 3221266
N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223222
1-(2,3-Dihydroindol-1-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one
CID 4819309
1-(2-Methylindolin-1-yl)-2-(2-pyrimidylthio)ethanone
CID 16488278
N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 53474010
N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 53474011
N-methyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 53474095
UR-12670
CID 9867789
1-[4-[(2-Methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 10523594

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone (CID 653143) is 2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone is O=C(C1CCCN(c2ncccn2)C1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
The InChIKey is CWHRJIRVZJMJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-17(22-12-8-14-5-1-2-7-16(14)22)15-6-3-11-21(13-15)18-19-9-4-10-20-18/h1-2,4-5,7,9-10,15H,3,6,8,11-13H2.
What are the key properties of 2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone has a molecular weight of 308.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 653143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).