(1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone

C18H24N2O — CID 110498748

IUPAC(1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCCn1c(C(=O)N2CCCCC2C)c(C)c2ccccc21
InChIInChI=1S/C18H24N2O/c1-4-19-16-11-6-5-10-15(16)14(3)17(19)18(21)20-12-8-7-9-13(20)2/h5-6,10-11,13H,4,7-9,12H2,1-3H3
InChIKeyUVVSYEIUQKSEKC-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.98
Rot. Bonds2

About (1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone

(1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 110498748) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID110498748
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCCn1c(C(=O)N2CCCCC2C)c(C)c2ccccc21
InChIInChI=1S/C18H24N2O/c1-4-19-16-11-6-5-10-15(16)14(3)17(19)18(21)20-12-8-7-9-13(20)2/h5-6,10-11,13H,4,7-9,12H2,1-3H3
InChIKeyUVVSYEIUQKSEKC-UHFFFAOYSA-N
XLogP3.98
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379
(2,6-dimethylmorpholin-4-yl)-(1-ethyl-3-methylindol-2-yl)methanone
CID 110498751
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
(5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 110498961
2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde
CID 7098941
(2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone
CID 110498899
(5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 110499037
2-[3-(2-aminobutyl)-2-methylindol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 170889788
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 17000859
1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82242836
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone (CID 110498748) is (1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone is CCn1c(C(=O)N2CCCCC2C)c(C)c2ccccc21.
What is the InChIKey of (1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is UVVSYEIUQKSEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-19-16-11-6-5-10-15(16)14(3)17(19)18(21)20-12-8-7-9-13(20)2/h5-6,10-11,13H,4,7-9,12H2,1-3H3.
What are the key properties of (1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone?
(1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 284.40 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110498748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).