5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide

C25H31N3O2 — CID 46952031

IUPAC5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide
SMILESCCOc1ccc2c(c1)c(C(=O)NCc1ccc(N3CCCCC3)cc1)c(C)n2C
InChIInChI=1S/C25H31N3O2/c1-4-30-21-12-13-23-22(16-21)24(18(2)27(23)3)25(29)26-17-19-8-10-20(11-9-19)28-14-6-5-7-15-28/h8-13,16H,4-7,14-15,17H2,1-3H3,(H,26,29)
InChIKeyZABWWAAMDILIKI-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.81
Rot. Bonds6

About 5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide

5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide (PubChem CID 46952031) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide
PubChem CID46952031
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide
SMILESCCOc1ccc2c(c1)c(C(=O)NCc1ccc(N3CCCCC3)cc1)c(C)n2C
InChIInChI=1S/C25H31N3O2/c1-4-30-21-12-13-23-22(16-21)24(18(2)27(23)3)25(29)26-17-19-8-10-20(11-9-19)28-14-6-5-7-15-28/h8-13,16H,4-7,14-15,17H2,1-3H3,(H,26,29)
InChIKeyZABWWAAMDILIKI-UHFFFAOYSA-N
XLogP4.81
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 100576325
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide
CID 175187274
2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide
CID 110601075
N-[(3-fluorophenyl)methyl]-5-methoxy-1,2-dimethylindole-3-carboxamide
CID 24804939
5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55659157
ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
CID 4109523
5-ethoxy-3-methyl-N-(4-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 8892336
5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 26976942
4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
CID 53145952
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35614054

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide?
The IUPAC name of 5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide (CID 46952031) is 5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for 5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide?
The canonical SMILES for 5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide is CCOc1ccc2c(c1)c(C(=O)NCc1ccc(N3CCCCC3)cc1)c(C)n2C.
What is the InChIKey of 5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide?
The InChIKey is ZABWWAAMDILIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-4-30-21-12-13-23-22(16-21)24(18(2)27(23)3)25(29)26-17-19-8-10-20(11-9-19)28-14-6-5-7-15-28/h8-13,16H,4-7,14-15,17H2,1-3H3,(H,26,29).
What are the key properties of 5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide?
5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,2-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 46952031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).