(2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone

C22H26N4O — CID 136525932

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCN(C(C)c4cccnc4)CC3)cc2c1C
InChIInChI=1S/C22H26N4O/c1-15-16(2)24-21-7-6-18(13-20(15)21)22(27)26-11-9-25(10-12-26)17(3)19-5-4-8-23-14-19/h4-8,13-14,17,24H,9-12H2,1-3H3
InChIKeyJUSTUSDWWNDBNC-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.70
Rot. Bonds3

About (2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone

(2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone (PubChem CID 136525932) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
PubChem CID136525932
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCN(C(C)c4cccnc4)CC3)cc2c1C
InChIInChI=1S/C22H26N4O/c1-15-16(2)24-21-7-6-18(13-20(15)21)22(27)26-11-9-25(10-12-26)17(3)19-5-4-8-23-14-19/h4-8,13-14,17,24H,9-12H2,1-3H3
InChIKeyJUSTUSDWWNDBNC-UHFFFAOYSA-N
XLogP3.70
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-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

(2,3-dimethyl-1H-indol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 138041779
(3-aminophenyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903343
4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile
CID 56790884
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
CID 43581955
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone
CID 95628023
(4-methyl-1,3-thiazol-5-yl)-[4-[(1R)-1-pyridin-3-ylethyl]-1,4-diazepan-1-yl]methanone
CID 95582279
4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one
CID 64694144
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
(2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 31282088
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone (CID 136525932) is (2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone is Cc1[nH]c2ccc(C(=O)N3CCN(C(C)c4cccnc4)CC3)cc2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone?
The InChIKey is JUSTUSDWWNDBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-16(2)24-21-7-6-18(13-20(15)21)22(27)26-11-9-25(10-12-26)17(3)19-5-4-8-23-14-19/h4-8,13-14,17,24H,9-12H2,1-3H3.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone?
(2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone has a molecular weight of 362.48 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 136525932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).