(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone

C19H26N2O2 — CID 52537995

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@H]1CCCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1
InChIInChI=1S/C19H26N2O2/c1-4-10-23-16-6-5-9-21(12-16)19(22)15-7-8-18-17(11-15)13(2)14(3)20-18/h7-8,11,16,20H,4-6,9-10,12H2,1-3H3/t16-/m0/s1
InChIKeyZRGKNGBYAQDJQW-INIZCTEOSA-N
MW314.43 g/mol
LogP3.82
Rot. Bonds4

About (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone

(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone (PubChem CID 52537995) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
PubChem CID52537995
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@H]1CCCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1
InChIInChI=1S/C19H26N2O2/c1-4-10-23-16-6-5-9-21(12-16)19(22)15-7-8-18-17(11-15)13(2)14(3)20-18/h7-8,11,16,20H,4-6,9-10,12H2,1-3H3/t16-/m0/s1
InChIKeyZRGKNGBYAQDJQW-INIZCTEOSA-N
XLogP3.82
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103872801
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 94784044
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 125015112

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone (CID 52537995) is (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone is CCCO[C@H]1CCCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone?
The InChIKey is ZRGKNGBYAQDJQW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-10-23-16-6-5-9-21(12-16)19(22)15-7-8-18-17(11-15)13(2)14(3)20-18/h7-8,11,16,20H,4-6,9-10,12H2,1-3H3/t16-/m0/s1.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone?
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone has a molecular weight of 314.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone is sourced from PubChem (CID 52537995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).