ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate

C19H24N2O5 — CID 7578621

IUPACethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(OC)c(OC)cc3[nH]2)C1
InChIInChI=1S/C19H24N2O5/c1-4-26-19(23)12-6-5-7-21(11-12)18(22)15-8-13-9-16(24-2)17(25-3)10-14(13)20-15/h8-10,12,20H,4-7,11H2,1-3H3/t12-/m1/s1
InChIKeyUONDEABHLDTSGG-GFCCVEGCSA-N
MW360.41 g/mol
LogP2.60
Rot. Bonds5

About ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate

ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate (PubChem CID 7578621) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate
PubChem CID7578621
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Nameethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(OC)c(OC)cc3[nH]2)C1
InChIInChI=1S/C19H24N2O5/c1-4-26-19(23)12-6-5-7-21(11-12)18(22)15-8-13-9-16(24-2)17(25-3)10-14(13)20-15/h8-10,12,20H,4-7,11H2,1-3H3/t12-/m1/s1
InChIKeyUONDEABHLDTSGG-GFCCVEGCSA-N
XLogP2.60
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate
CID 43409726
ethyl (3R)-1-(3-chloro-4,5-dimethoxybenzoyl)piperidine-3-carboxylate
CID 30880442
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 110763375
ethyl 1-[4-(3,4-dimethoxyphenyl)thiophene-2-carbonyl]piperidine-3-carboxylate
CID 71818294
ethyl (3S)-1-(3,5-dichloro-4-methoxybenzoyl)piperidine-3-carboxylate
CID 52510977
(5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7618198
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 110769736
ethyl (3R)-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-3-carboxylate
CID 115538799
ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate (CID 7578621) is ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(OC)c(OC)cc3[nH]2)C1.
What is the InChIKey of ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is UONDEABHLDTSGG-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-4-26-19(23)12-6-5-7-21(11-12)18(22)15-8-13-9-16(24-2)17(25-3)10-14(13)20-15/h8-10,12,20H,4-7,11H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate?
ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 7578621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).