(5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone

C16H21N3O — CID 95432972

IUPAC(5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone
SMILESCCc1ccc2c(c1)c(C(=O)N1CCNCC1)cn2C
InChIInChI=1S/C16H21N3O/c1-3-12-4-5-15-13(10-12)14(11-18(15)2)16(20)19-8-6-17-7-9-19/h4-5,10-11,17H,3,6-9H2,1-2H3
InChIKeyHXCWNWFWNHQJJL-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.79
Rot. Bonds2

About (5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone

(5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone (PubChem CID 95432972) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone
PubChem CID95432972
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone
SMILESCCc1ccc2c(c1)c(C(=O)N1CCNCC1)cn2C
InChIInChI=1S/C16H21N3O/c1-3-12-4-5-15-13(10-12)14(11-18(15)2)16(20)19-8-6-17-7-9-19/h4-5,10-11,17H,3,6-9H2,1-2H3
InChIKeyHXCWNWFWNHQJJL-UHFFFAOYSA-N
XLogP1.79
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one
CID 82278783
(5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 172654558
(7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone
CID 70289039
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800667
(7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone
CID 95432983
(4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone
CID 71701392
5-ethyl-1-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)indole
CID 176569380
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
3-(5-ethyl-1-methylindol-3-yl)butanoic acid
CID 82278686

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone (CID 95432972) is (5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone is CCc1ccc2c(c1)c(C(=O)N1CCNCC1)cn2C.
What is the InChIKey of (5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is HXCWNWFWNHQJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-12-4-5-15-13(10-12)14(11-18(15)2)16(20)19-8-6-17-7-9-19/h4-5,10-11,17H,3,6-9H2,1-2H3.
What are the key properties of (5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone?
(5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 271.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 95432972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).