(3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

C21H24N4O2 — CID 71724940

IUPAC(3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(CCOc3cccnc3)CC2)[nH]c2ccccc12
InChIInChI=1S/C21H24N4O2/c1-16-18-6-2-3-7-19(18)23-20(16)21(26)25-11-9-24(10-12-25)13-14-27-17-5-4-8-22-15-17/h2-8,15,23H,9-14H2,1H3
InChIKeyVZAPTAUVWQWZDW-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.71
Rot. Bonds5

About (3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

(3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 71724940) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
PubChem CID71724940
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(CCOc3cccnc3)CC2)[nH]c2ccccc12
InChIInChI=1S/C21H24N4O2/c1-16-18-6-2-3-7-19(18)23-20(16)21(26)25-11-9-24(10-12-25)13-14-27-17-5-4-8-22-15-17/h2-8,15,23H,9-14H2,1H3
InChIKeyVZAPTAUVWQWZDW-UHFFFAOYSA-N
XLogP2.71
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Abecarnil
CID 65914
Ethyl 4-(methoxymethyl)-6-(phenylmethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 121926
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 115210
(3Z)-5-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 16731836
N-(4-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)acetamide
CID 10126724
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indol-2-one
CID 10237631
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-methyl-2,3-dihydro-1H-indol-2-one
CID 23647551
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-ethyl-2,3-dihydro-1H-indol-2-one
CID 23647552
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one
CID 23647554
2-[5-(2-Methoxyethoxy)pyridin-3-Yl]-8,9,10,11-Tetrahydro-7h-Pyrido[3',4':4,5]pyrrolo[2,3-F]isoquinolin-7-One
CID 25066416
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (CID 71724940) is (3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(CCOc3cccnc3)CC2)[nH]c2ccccc12.
What is the InChIKey of (3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is VZAPTAUVWQWZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-18-6-2-3-7-19(18)23-20(16)21(26)25-11-9-24(10-12-25)13-14-27-17-5-4-8-22-15-17/h2-8,15,23H,9-14H2,1H3.
What are the key properties of (3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
(3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71724940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).