5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide

C18H25N3O2 — CID 51497965

IUPAC5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2[nH]c(C(=O)N[C@H]3CCCN(C)C3)c(C)c2c1
InChIInChI=1S/C18H25N3O2/c1-4-23-14-7-8-16-15(10-14)12(2)17(20-16)18(22)19-13-6-5-9-21(3)11-13/h7-8,10,13,20H,4-6,9,11H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyIHZZYQICIUPKPZ-ZDUSSCGKSA-N
MW315.42 g/mol
LogP2.70
Rot. Bonds4

About 5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide

5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 51497965) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide
PubChem CID51497965
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2[nH]c(C(=O)N[C@H]3CCCN(C)C3)c(C)c2c1
InChIInChI=1S/C18H25N3O2/c1-4-23-14-7-8-16-15(10-14)12(2)17(20-16)18(22)19-13-6-5-9-21(3)11-13/h7-8,10,13,20H,4-6,9,11H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyIHZZYQICIUPKPZ-ZDUSSCGKSA-N
XLogP2.70
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
CID 51497846
ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692
ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 113204728
5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 63118303
2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide
CID 178093607
N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide
CID 92604271
ethyl 5-ethoxy-3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 3900647
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 125387938
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 113204847

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide (CID 51497965) is 5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide is CCOc1ccc2[nH]c(C(=O)N[C@H]3CCCN(C)C3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is IHZZYQICIUPKPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-23-14-7-8-16-15(10-14)12(2)17(20-16)18(22)19-13-6-5-9-21(3)11-13/h7-8,10,13,20H,4-6,9,11H2,1-3H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide?
5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 51497965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).