[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone

C22H27N3O — CID 46762925

IUPAC[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C22H27N3O/c1-2-23-13-15-24(16-14-23)22(26)20-9-7-18(8-10-20)17-25-12-11-19-5-3-4-6-21(19)25/h3-10H,2,11-17H2,1H3
InChIKeyAEQLGLHVMVWOEV-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.03
Rot. Bonds4

About [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone

[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 46762925) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID46762925
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C22H27N3O/c1-2-23-13-15-24(16-14-23)22(26)20-9-7-18(8-10-20)17-25-12-11-19-5-3-4-6-21(19)25/h3-10H,2,11-17H2,1H3
InChIKeyAEQLGLHVMVWOEV-UHFFFAOYSA-N
XLogP3.03
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone
CID 99955888
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 38000598
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 92675302
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 99950717
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46043505
4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 43908264
2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
CID 147623744
[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 99953653

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone (CID 46762925) is [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1.
What is the InChIKey of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is AEQLGLHVMVWOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-2-23-13-15-24(16-14-23)22(26)20-9-7-18(8-10-20)17-25-12-11-19-5-3-4-6-21(19)25/h3-10H,2,11-17H2,1H3.
What are the key properties of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone?
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 349.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 46762925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).