(5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone

C17H22N2O — CID 96678991

IUPAC(5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
SMILESCCc1ccc2[nH]c(C)c(C(=O)C3CCNCC3)c2c1
InChIInChI=1S/C17H22N2O/c1-3-12-4-5-15-14(10-12)16(11(2)19-15)17(20)13-6-8-18-9-7-13/h4-5,10,13,18-19H,3,6-9H2,1-2H3
InChIKeyFPMQFZMRLNWXQW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.22
Rot. Bonds3

About (5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone

(5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone (PubChem CID 96678991) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
PubChem CID96678991
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
SMILESCCc1ccc2[nH]c(C)c(C(=O)C3CCNCC3)c2c1
InChIInChI=1S/C17H22N2O/c1-3-12-4-5-15-14(10-12)16(11(2)19-15)17(20)13-6-8-18-9-7-13/h4-5,10,13,18-19H,3,6-9H2,1-2H3
InChIKeyFPMQFZMRLNWXQW-UHFFFAOYSA-N
XLogP3.22
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 98034370
5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311786
3-bromo-5-ethyl-2-methyl-1H-indole
CID 82279891
cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311889
2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid
CID 90686795
6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452714
7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
CID 83840186
1-(4-fluorophenyl)ethyl 2-methyl-5-propyl-1H-indole-3-carboxylate
CID 23393786
cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54453164
6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
CID 84630858
6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643398

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone?
The IUPAC name of (5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone (CID 96678991) is (5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone is CCc1ccc2[nH]c(C)c(C(=O)C3CCNCC3)c2c1.
What is the InChIKey of (5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone?
The InChIKey is FPMQFZMRLNWXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-12-4-5-15-14(10-12)16(11(2)19-15)17(20)13-6-8-18-9-7-13/h4-5,10,13,18-19H,3,6-9H2,1-2H3.
What are the key properties of (5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone?
(5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone has a molecular weight of 270.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 96678991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).