(4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone

C25H26N4O — CID 109193357

IUPAC(4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(N2CCc3ccccc32)cn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H26N4O/c30-25(28-16-14-27(15-17-28)19-20-6-2-1-3-7-20)23-11-10-22(18-26-23)29-13-12-21-8-4-5-9-24(21)29/h1-11,18H,12-17,19H2
InChIKeyYLMQOODZUOMJGZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.73
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone

(4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone (PubChem CID 109193357) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone
PubChem CID109193357
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name(4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(N2CCc3ccccc32)cn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H26N4O/c30-25(28-16-14-27(15-17-28)19-20-6-2-1-3-7-20)23-11-10-22(18-26-23)29-13-12-21-8-4-5-9-24(21)29/h1-11,18H,12-17,19H2
InChIKeyYLMQOODZUOMJGZ-UHFFFAOYSA-N
XLogP3.73
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186328
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109285489
(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone
CID 99955888
N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109189865
N-(3-acetamidophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109197843
5-(2,3-dihydroindol-1-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109197830
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109197827
[4-(2,3-dihydroindol-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203702
1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone
CID 83120051
1-[5-(4-benzylpiperazine-1-carbonyl)-2-pyridinyl]-2-(1-benzylpiperidin-4-yl)ethanone
CID 58073212
1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187230

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone (CID 109193357) is (4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone is O=C(c1ccc(N2CCc3ccccc32)cn1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone?
The InChIKey is YLMQOODZUOMJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c30-25(28-16-14-27(15-17-28)19-20-6-2-1-3-7-20)23-11-10-22(18-26-23)29-13-12-21-8-4-5-9-24(21)29/h1-11,18H,12-17,19H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone?
(4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone has a molecular weight of 398.51 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 109193357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).