[(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride

C18H23Cl2N5O — CID 69273494

IUPAC[(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCCN(C(=O)C2Cc3ccccc3N2c2ncccn2)C1
InChIInChI=1S/C18H21N5O.2ClH/c19-14-6-3-10-22(12-14)17(24)16-11-13-5-1-2-7-15(13)23(16)18-20-8-4-9-21-18;;/h1-2,4-5,7-9,14,16H,3,6,10-12,19H2;2*1H/t14-,16?;;/m1../s1
InChIKeyJSTMOTOZMPKPQQ-NBGRLMHLSA-N
MW396.32 g/mol
LogP2.33
Rot. Bonds2

About [(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride

[(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride (PubChem CID 69273494) has the molecular formula C18H23Cl2N5O and a molecular weight of 396.32 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride
PubChem CID69273494
Molecular FormulaC18H23Cl2N5O
Molecular Weight396.32 g/mol
Exact Mass395.13
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCCN(C(=O)C2Cc3ccccc3N2c2ncccn2)C1
InChIInChI=1S/C18H21N5O.2ClH/c19-14-6-3-10-22(12-14)17(24)16-11-13-5-1-2-7-15(13)23(16)18-20-8-4-9-21-18;;/h1-2,4-5,7-9,14,16H,3,6,10-12,19H2;2*1H/t14-,16?;;/m1../s1
InChIKeyJSTMOTOZMPKPQQ-NBGRLMHLSA-N
XLogP2.33
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methylpiperidin-1-yl)-(1-pyridazin-3-yl-2,3-dihydroindol-2-yl)methanone
CID 69275502
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone
CID 142690245
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
3-[2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-1H-pyridazin-6-one
CID 69273701
[(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 11617471
(3-aminopiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119381033
[(3S)-3-methylpiperidin-1-yl]-[(2S)-1-(1-methyl-6-sulfanylidenepyridazin-3-yl)-2,3-dihydroindol-2-yl]methanone
CID 87761635
(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid
CID 69275495
[(2S)-5-bromo-1-pyrimidin-2-yl-2,3-dihydroindol-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 69273589
(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone
CID 119380930
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 124628195

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride (CID 69273494) is [(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride is Cl.Cl.N[C@@H]1CCCN(C(=O)C2Cc3ccccc3N2c2ncccn2)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride?
The InChIKey is JSTMOTOZMPKPQQ-NBGRLMHLSA-N. The full InChI is InChI=1S/C18H21N5O.2ClH/c19-14-6-3-10-22(12-14)17(24)16-11-13-5-1-2-7-15(13)23(16)18-20-8-4-9-21-18;;/h1-2,4-5,7-9,14,16H,3,6,10-12,19H2;2*1H/t14-,16?;;/m1../s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride?
[(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride has a molecular weight of 396.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride is sourced from PubChem (CID 69273494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).