1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one

C21H23N3O — CID 126833498

IUPAC1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
SMILESCC1=Nc2ccccc2C12CCN(C(=O)CCc1ccncc1)CC2
InChIInChI=1S/C21H23N3O/c1-16-21(18-4-2-3-5-19(18)23-16)10-14-24(15-11-21)20(25)7-6-17-8-12-22-13-9-17/h2-5,8-9,12-13H,6-7,10-11,14-15H2,1H3
InChIKeyGOPQHSCXIWNQLW-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.68
Rot. Bonds3

About 1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one

1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one (PubChem CID 126833498) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
PubChem CID126833498
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
SMILESCC1=Nc2ccccc2C12CCN(C(=O)CCc1ccncc1)CC2
InChIInChI=1S/C21H23N3O/c1-16-21(18-4-2-3-5-19(18)23-16)10-14-24(15-11-21)20(25)7-6-17-8-12-22-13-9-17/h2-5,8-9,12-13H,6-7,10-11,14-15H2,1H3
InChIKeyGOPQHSCXIWNQLW-UHFFFAOYSA-N
XLogP3.68
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide
CID 136568238
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone
CID 126833497
2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96575863
4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one
CID 115276831
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
CID 97272698
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 106982425
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95334915
3-methyl-1-(2-methylpropyl)-8-(3-pyridin-4-ylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165426641
3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 123982868
1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
CID 81487357
3-(4-ethylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 110709163

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one (CID 126833498) is 1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one is CC1=Nc2ccccc2C12CCN(C(=O)CCc1ccncc1)CC2.
What is the InChIKey of 1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is GOPQHSCXIWNQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-21(18-4-2-3-5-19(18)23-16)10-14-24(15-11-21)20(25)7-6-17-8-12-22-13-9-17/h2-5,8-9,12-13H,6-7,10-11,14-15H2,1H3.
What are the key properties of 1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one?
1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 333.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 126833498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).