(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone

C14H17BrN2O — CID 119324720

IUPAC(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCc2ccc(Br)cc21
InChIInChI=1S/C14H17BrN2O/c15-11-5-4-10-6-8-17(13(10)9-11)14(18)12-3-1-2-7-16-12/h4-5,9,12,16H,1-3,6-8H2
InChIKeyDTDPBKMAZZIHDJ-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.48
Rot. Bonds1

About (6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone

(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone (PubChem CID 119324720) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is (6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone
PubChem CID119324720
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCc2ccc(Br)cc21
InChIInChI=1S/C14H17BrN2O/c15-11-5-4-10-6-8-17(13(10)9-11)14(18)12-3-1-2-7-16-12/h4-5,9,12,16H,1-3,6-8H2
InChIKeyDTDPBKMAZZIHDJ-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119280340
(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 113235710
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid
CID 132972506
1-[(2S)-piperidine-2-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 104913606
1-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157415
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913404
(5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone
CID 119280350
1-[4-(8-bromo-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 166418634
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone
CID 93375324
(1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119324743

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone?
The IUPAC name of (6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone (CID 119324720) is (6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone is O=C(C1CCCCN1)N1CCc2ccc(Br)cc21.
What is the InChIKey of (6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone?
The InChIKey is DTDPBKMAZZIHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-11-5-4-10-6-8-17(13(10)9-11)14(18)12-3-1-2-7-16-12/h4-5,9,12,16H,1-3,6-8H2.
What are the key properties of (6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone?
(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone has a molecular weight of 309.21 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 119324720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).