(4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone

C14H15BrN2O — CID 115351659

IUPAC(4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone
SMILESO=C(c1c[nH]c2cccc(Br)c12)C1CCCNC1
InChIInChI=1S/C14H15BrN2O/c15-11-4-1-5-12-13(11)10(8-17-12)14(18)9-3-2-6-16-7-9/h1,4-5,8-9,16-17H,2-3,6-7H2
InChIKeyJARJPWYGOTUVJP-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.11
Rot. Bonds2

About (4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone

(4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone (PubChem CID 115351659) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is (4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone
PubChem CID115351659
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name(4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone
SMILESO=C(c1c[nH]c2cccc(Br)c12)C1CCCNC1
InChIInChI=1S/C14H15BrN2O/c15-11-4-1-5-12-13(11)10(8-17-12)14(18)9-3-2-6-16-7-9/h1,4-5,8-9,16-17H,2-3,6-7H2
InChIKeyJARJPWYGOTUVJP-UHFFFAOYSA-N
XLogP3.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone 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

(4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone
CID 64813461
(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84691957
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
CID 106647090
piperidin-3-yl(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone
CID 84692756
piperidin-3-yl(1H-pyrrolo[2,3-c]pyridin-3-yl)methanone
CID 84692750
(2,5-dibromo-4-methylphenyl)-piperidin-3-ylmethanone
CID 81473911
1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone
CID 56755375
cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676344
1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one
CID 115351483
cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162479
piperidin-3-yl(quinolin-5-yl)methanone
CID 116548060

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone?
The IUPAC name of (4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone (CID 115351659) is (4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone is O=C(c1c[nH]c2cccc(Br)c12)C1CCCNC1.
What is the InChIKey of (4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone?
The InChIKey is JARJPWYGOTUVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-11-4-1-5-12-13(11)10(8-17-12)14(18)9-3-2-6-16-7-9/h1,4-5,8-9,16-17H,2-3,6-7H2.
What are the key properties of (4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone?
(4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone has a molecular weight of 307.19 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 115351659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).