2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone

C21H27N5O — CID 166261507

IUPAC2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESCN(C)Cc1ccc(N2CCN(C(=O)C3CNc4ccccc43)CC2)nc1
InChIInChI=1S/C21H27N5O/c1-24(2)15-16-7-8-20(23-13-16)25-9-11-26(12-10-25)21(27)18-14-22-19-6-4-3-5-17(18)19/h3-8,13,18,22H,9-12,14-15H2,1-2H3
InChIKeyWUKZKEORYLMCLL-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.00
Rot. Bonds4

About 2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone

2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 166261507) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID166261507
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESCN(C)Cc1ccc(N2CCN(C(=O)C3CNc4ccccc43)CC2)nc1
InChIInChI=1S/C21H27N5O/c1-24(2)15-16-7-8-20(23-13-16)25-9-11-26(12-10-25)21(27)18-14-22-19-6-4-3-5-17(18)19/h3-8,13,18,22H,9-12,14-15H2,1-2H3
InChIKeyWUKZKEORYLMCLL-UHFFFAOYSA-N
XLogP2.00
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 75467585
1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one
CID 166228383
8-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]-5H-benzo[b][1,4]benzoxazepin-6-one
CID 166402697
N-[(2S)-1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-4-fluorobenzamide
CID 166402695
2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217204
[4-(dimethylamino)-2,3-dihydrochromen-4-yl]-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166213116
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
CID 166235300
1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
CID 166010057
1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone
CID 126798913
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone
CID 166402671
(7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166402725
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-[3-[[(4-methylpyrimidin-2-yl)amino]methyl]phenyl]methanone
CID 166207538

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone (CID 166261507) is 2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone is CN(C)Cc1ccc(N2CCN(C(=O)C3CNc4ccccc43)CC2)nc1.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is WUKZKEORYLMCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-24(2)15-16-7-8-20(23-13-16)25-9-11-26(12-10-25)21(27)18-14-22-19-6-4-3-5-17(18)19/h3-8,13,18,22H,9-12,14-15H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone?
2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 166261507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).