2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone

C16H23N3O — CID 77002717

IUPAC2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2Cc3ccccc3N2)CC1C
InChIInChI=1S/C16H23N3O/c1-3-18-8-9-19(11-12(18)2)16(20)15-10-13-6-4-5-7-14(13)17-15/h4-7,12,15,17H,3,8-11H2,1-2H3
InChIKeyNIHHGCDFSLMOJR-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.58
Rot. Bonds2

About 2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone

2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone (PubChem CID 77002717) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone
PubChem CID77002717
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2Cc3ccccc3N2)CC1C
InChIInChI=1S/C16H23N3O/c1-3-18-8-9-19(11-12(18)2)16(20)15-10-13-6-4-5-7-14(13)17-15/h4-7,12,15,17H,3,8-11H2,1-2H3
InChIKeyNIHHGCDFSLMOJR-UHFFFAOYSA-N
XLogP1.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 124591728
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
[(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597075
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 124574751
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591703
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866
methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 76894114
(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone
CID 76903989

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone (CID 77002717) is 2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2Cc3ccccc3N2)CC1C.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The InChIKey is NIHHGCDFSLMOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-18-8-9-19(11-12(18)2)16(20)15-10-13-6-4-5-7-14(13)17-15/h4-7,12,15,17H,3,8-11H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone?
2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 77002717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).