[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone

C18H23N3O — CID 119776657

IUPAC[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C18H23N3O/c22-18(14-8-9-19-12-14)21-10-4-3-7-17(21)16-11-13-5-1-2-6-15(13)20-16/h1-2,5-6,11,14,17,19-20H,3-4,7-10,12H2
InChIKeyPQWXEHWSLLMJOE-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.83
Rot. Bonds2

About [2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone

[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 119776657) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID119776657
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C18H23N3O/c22-18(14-8-9-19-12-14)21-10-4-3-7-17(21)16-11-13-5-1-2-6-15(13)20-16/h1-2,5-6,11,14,17,19-20H,3-4,7-10,12H2
InChIKeyPQWXEHWSLLMJOE-UHFFFAOYSA-N
XLogP2.83
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-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

[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
(3-aminocyclopentyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 119776626
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 111109545
1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 71878068
[2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119776619
1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 146086918
2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055616
2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
CID 119931465
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone (CID 119776657) is [2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone is O=C(C1CCNC1)N1CCCCC1c1cc2ccccc2[nH]1.
What is the InChIKey of [2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is PQWXEHWSLLMJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18(14-8-9-19-12-14)21-10-4-3-7-17(21)16-11-13-5-1-2-6-15(13)20-16/h1-2,5-6,11,14,17,19-20H,3-4,7-10,12H2.
What are the key properties of [2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 297.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 119776657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).