3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one

C24H29N3O — CID 162976309

IUPAC3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)n1cc(CCC(=O)N2CCCCC2c2cccnc2)c2ccccc21
InChIInChI=1S/C24H29N3O/c1-18(2)27-17-20(21-9-3-4-11-23(21)27)12-13-24(28)26-15-6-5-10-22(26)19-8-7-14-25-16-19/h3-4,7-9,11,14,16-18,22H,5-6,10,12-13,15H2,1-2H3
InChIKeyBBOCCWSAFWWUNV-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.30
Rot. Bonds5

About 3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one

3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one (PubChem CID 162976309) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
PubChem CID162976309
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)n1cc(CCC(=O)N2CCCCC2c2cccnc2)c2ccccc21
InChIInChI=1S/C24H29N3O/c1-18(2)27-17-20(21-9-3-4-11-23(21)27)12-13-24(28)26-15-6-5-10-22(26)19-8-7-14-25-16-19/h3-4,7-9,11,14,16-18,22H,5-6,10,12-13,15H2,1-2H3
InChIKeyBBOCCWSAFWWUNV-UHFFFAOYSA-N
XLogP5.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one with MolForge

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Related Compounds

2-(1-methylindol-3-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
CID 124817497
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
3-(2-aminophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120613570
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
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4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propan-1-one
CID 124835282
4-(propan-2-ylamino)-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 60850960
4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 110210193
3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 47000546
(5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one
CID 42407319
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one (CID 162976309) is 3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one is CC(C)n1cc(CCC(=O)N2CCCCC2c2cccnc2)c2ccccc21.
What is the InChIKey of 3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one?
The InChIKey is BBOCCWSAFWWUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18(2)27-17-20(21-9-3-4-11-23(21)27)12-13-24(28)26-15-6-5-10-22(26)19-8-7-14-25-16-19/h3-4,7-9,11,14,16-18,22H,5-6,10,12-13,15H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one?
3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one has a molecular weight of 375.52 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylindol-3-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 162976309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).