3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide

C25H30ClN3O — CID 16646084

IUPAC3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCN1CCCCC1)n2C
InChIInChI=1S/C25H30ClN3O/c1-3-18-7-12-22-21(17-18)23(19-8-10-20(26)11-9-19)24(28(22)2)25(30)27-13-16-29-14-5-4-6-15-29/h7-12,17H,3-6,13-16H2,1-2H3,(H,27,30)
InChIKeyANBFYJBOVFIXHV-UHFFFAOYSA-N
MW423.99 g/mol
LogP5.28
Rot. Bonds6

About 3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide

3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide (PubChem CID 16646084) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide
PubChem CID16646084
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC Name3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCN1CCCCC1)n2C
InChIInChI=1S/C25H30ClN3O/c1-3-18-7-12-22-21(17-18)23(19-8-10-20(26)11-9-19)24(28(22)2)25(30)27-13-16-29-14-5-4-6-15-29/h7-12,17H,3-6,13-16H2,1-2H3,(H,27,30)
InChIKeyANBFYJBOVFIXHV-UHFFFAOYSA-N
XLogP5.28
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.99
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-2,3-dimethyl-N-(3-piperidin-1-ylpropyl)indole-5-carboxamide
CID 20940278
4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 123849951
N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
CID 103763914
2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173608
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
N-[2-(4-chlorophenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277095
1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide
CID 20940028
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791492
N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
CID 110688285
N-[2-(azepan-1-yl)ethyl]-2-[(S)-[2-(4-ethylanilino)-2-oxoethyl]sulfinyl]acetamide
CID 11902749
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 46357370

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide (CID 16646084) is 3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide is CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCN1CCCCC1)n2C.
What is the InChIKey of 3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide?
The InChIKey is ANBFYJBOVFIXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O/c1-3-18-7-12-22-21(17-18)23(19-8-10-20(26)11-9-19)24(28(22)2)25(30)27-13-16-29-14-5-4-6-15-29/h7-12,17H,3-6,13-16H2,1-2H3,(H,27,30).
What are the key properties of 3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide?
3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide has a molecular weight of 423.99 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-ethyl-1-methyl-N-(2-piperidin-1-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 16646084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).