ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate

C19H24N2O3 — CID 2813269

IUPACethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1
InChIInChI=1S/C19H24N2O3/c1-4-24-19(23)14-5-7-21(8-6-14)18(22)17-11-15-13(3)9-12(2)10-16(15)20-17/h9-11,14,20H,4-8H2,1-3H3
InChIKeyZXSVYMSVMLCEFL-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.20
Rot. Bonds3

About ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate (PubChem CID 2813269) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate
PubChem CID2813269
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1
InChIInChI=1S/C19H24N2O3/c1-4-24-19(23)14-5-7-21(8-6-14)18(22)17-11-15-13(3)9-12(2)10-16(15)20-17/h9-11,14,20H,4-8H2,1-3H3
InChIKeyZXSVYMSVMLCEFL-UHFFFAOYSA-N
XLogP3.20
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperazin-1-ylcarbonyl)-1H-indole
CID 921599
(1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4060730
(5-fluoro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4906599
N-(3-cyanophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951675
N-(4-carbamoylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951768
N-Benzyl,N-methyl-1H-indole-2-carboxamide
CID 23020609
[4-(2-Hydroxyethyl)piperidin-1-Yl](5-Methyl-1h-Indol-2-Yl)methanone
CID 59529932
N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide
CID 71662593
(8R)-8-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)butyl-propylamino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide
CID 54584591
2-Methyl-1-(1-((5-methyl-1H-indol-2-yl)carbonyl)piperidin-4-yl)propan-2-ol
CID 25210756
(6S)-6-benzyl-4-(5-cyclopropyl-1H-indole-2-carbonyl)-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 122600763
2-(2-amino-2-methylpropanoyl)-2,3,4,9-tetrahydro-2,4,9,10-tetraazacyclohepta[def]fluoren-8(1H)-one
CID 136242930

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate (CID 2813269) is ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1.
What is the InChIKey of ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is ZXSVYMSVMLCEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-24-19(23)14-5-7-21(8-6-14)18(22)17-11-15-13(3)9-12(2)10-16(15)20-17/h9-11,14,20H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4,6-dimethyl-1H-indole-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 2813269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).