(5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone

C19H25ClN2O — CID 110498961

IUPAC(5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1c(C)c2cc(Cl)ccc2n1CC
InChIInChI=1S/C19H25ClN2O/c1-4-15-8-6-7-11-22(15)19(23)18-13(3)16-12-14(20)9-10-17(16)21(18)5-2/h9-10,12,15H,4-8,11H2,1-3H3
InChIKeyWCGKQMAHRFYWKZ-UHFFFAOYSA-N
MW332.88 g/mol
LogP5.03
Rot. Bonds3

About (5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone

(5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 110498961) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is (5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID110498961
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name(5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1c(C)c2cc(Cl)ccc2n1CC
InChIInChI=1S/C19H25ClN2O/c1-4-15-8-6-7-11-22(15)19(23)18-13(3)16-12-14(20)9-10-17(16)21(18)5-2/h9-10,12,15H,4-8,11H2,1-3H3
InChIKeyWCGKQMAHRFYWKZ-UHFFFAOYSA-N
XLogP5.03
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.88
LogP ≤ 55.03
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

(5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 110499037
ethyl 1-(5-chloro-1-ethyl-3-methylindole-2-carbonyl)piperidine-4-carboxylate
CID 110498959
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990888
(5-chloro-2-nitrophenyl)-(2-ethylazepan-1-yl)methanone
CID 115642385
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502070
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 112847243
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 107951572

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone (CID 110498961) is (5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1c(C)c2cc(Cl)ccc2n1CC.
What is the InChIKey of (5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is WCGKQMAHRFYWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/c1-4-15-8-6-7-11-22(15)19(23)18-13(3)16-12-14(20)9-10-17(16)21(18)5-2/h9-10,12,15H,4-8,11H2,1-3H3.
What are the key properties of (5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
(5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 332.88 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 110498961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).