(5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride

C16H22BrClN2O2 — CID 120620289

IUPAC(5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CCc3cc(Br)ccc32)CCNCC1.Cl
InChIInChI=1S/C16H21BrN2O2.ClH/c1-21-11-16(5-7-18-8-6-16)15(20)19-9-4-12-10-13(17)2-3-14(12)19;/h2-3,10,18H,4-9,11H2,1H3;1H
InChIKeyORLRTSXPIZKYKF-UHFFFAOYSA-N
MW389.72 g/mol
LogP2.78
Rot. Bonds3

About (5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride

(5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 120620289) has the molecular formula C16H22BrClN2O2 and a molecular weight of 389.72 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID120620289
Molecular FormulaC16H22BrClN2O2
Molecular Weight389.72 g/mol
Exact Mass388.06
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CCc3cc(Br)ccc32)CCNCC1.Cl
InChIInChI=1S/C16H21BrN2O2.ClH/c1-21-11-16(5-7-18-8-6-16)15(20)19-9-4-12-10-13(17)2-3-14(12)19;/h2-3,10,18H,4-9,11H2,1H3;1H
InChIKeyORLRTSXPIZKYKF-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone
CID 129465608
(4-chloro-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120633556
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120617142
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120629648
2,3-dihydroindol-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 119673107
1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
CID 142480057
methyl 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate
CID 55557096
(5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119280340
5-bromo-2,3-dihydro-1H-indole;tert-butyl 5-bromo-2,3-dihydroindole-1-carboxylate
CID 158223864
[4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride
CID 120646209
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120618683
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride (CID 120620289) is (5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride is COCC1(C(=O)N2CCc3cc(Br)ccc32)CCNCC1.Cl.
What is the InChIKey of (5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is ORLRTSXPIZKYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2.ClH/c1-21-11-16(5-7-18-8-6-16)15(20)19-9-4-12-10-13(17)2-3-14(12)19;/h2-3,10,18H,4-9,11H2,1H3;1H.
What are the key properties of (5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
(5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 389.72 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120620289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).