(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone

C19H18BrN3O — CID 71878068

IUPAC(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cncc(Br)c1)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C19H18BrN3O/c20-15-9-14(11-21-12-15)19(24)23-8-4-3-7-18(23)17-10-13-5-1-2-6-16(13)22-17/h1-2,5-6,9-12,18,22H,3-4,7-8H2
InChIKeyWFXCMGMOMWSPFI-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.69
Rot. Bonds2

About (5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone

(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone (PubChem CID 71878068) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone
PubChem CID71878068
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cncc(Br)c1)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C19H18BrN3O/c20-15-9-14(11-21-12-15)19(24)23-8-4-3-7-18(23)17-10-13-5-1-2-6-16(13)22-17/h1-2,5-6,9-12,18,22H,3-4,7-8H2
InChIKeyWFXCMGMOMWSPFI-UHFFFAOYSA-N
XLogP4.69
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone 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

2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055616
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 61062384
(5-bromo-3-pyridinyl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31796701
pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 51589304
(3-aminocyclopentyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 119776626
[2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119776619
N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 111109545
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 154757998

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone (CID 71878068) is (5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone is O=C(c1cncc(Br)c1)N1CCCCC1c1cc2ccccc2[nH]1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone?
The InChIKey is WFXCMGMOMWSPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c20-15-9-14(11-21-12-15)19(24)23-8-4-3-7-18(23)17-10-13-5-1-2-6-16(13)22-17/h1-2,5-6,9-12,18,22H,3-4,7-8H2.
What are the key properties of (5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone?
(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone has a molecular weight of 384.28 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71878068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).