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

C16H21N3O — CID 63605636

IUPAC(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
SMILESCCN1CCN(C(=O)c2c[nH]c3ccccc23)CC1C
InChIInChI=1S/C16H21N3O/c1-3-18-8-9-19(11-12(18)2)16(20)14-10-17-15-7-5-4-6-13(14)15/h4-7,10,12,17H,3,8-9,11H2,1-2H3
InChIKeyALNCHUPOXPCBLR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.33
Rot. Bonds2

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

(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone (PubChem CID 63605636) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
PubChem CID63605636
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
SMILESCCN1CCN(C(=O)c2c[nH]c3ccccc23)CC1C
InChIInChI=1S/C16H21N3O/c1-3-18-8-9-19(11-12(18)2)16(20)14-10-17-15-7-5-4-6-13(14)15/h4-7,10,12,17H,3,8-9,11H2,1-2H3
InChIKeyALNCHUPOXPCBLR-UHFFFAOYSA-N
XLogP2.33
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 97329098
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
(4-ethyl-3-methylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63620718
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 61171911
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804849
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
1-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 49206011
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone?
The IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone (CID 63605636) is (4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone.
What is the SMILES notation for (4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone?
The canonical SMILES for (4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone is CCN1CCN(C(=O)c2c[nH]c3ccccc23)CC1C.
What is the InChIKey of (4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone?
The InChIKey is ALNCHUPOXPCBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-18-8-9-19(11-12(18)2)16(20)14-10-17-15-7-5-4-6-13(14)15/h4-7,10,12,17H,3,8-9,11H2,1-2H3.
What are the key properties of (4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone?
(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone is sourced from PubChem (CID 63605636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).