5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide

C26H33ClN4O — CID 169175710

IUPAC5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCCN(C)Cc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C26H33ClN4O/c1-3-30(2)18-23-22-17-20(27)9-12-24(22)29-25(23)26(32)28-14-13-19-7-10-21(11-8-19)31-15-5-4-6-16-31/h7-12,17,29H,3-6,13-16,18H2,1-2H3,(H,28,32)
InChIKeyGPGMZDYBWQWBJN-UHFFFAOYSA-N
MW453.03 g/mol
LogP5.24
Rot. Bonds8

About 5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide

5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 169175710) has the molecular formula C26H33ClN4O and a molecular weight of 453.03 g/mol. Its IUPAC name is 5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID169175710
Molecular FormulaC26H33ClN4O
Molecular Weight453.03 g/mol
Exact Mass452.23
IUPAC Name5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCCN(C)Cc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C26H33ClN4O/c1-3-30(2)18-23-22-17-20(27)9-12-24(22)29-25(23)26(32)28-14-13-19-7-10-21(11-8-19)31-15-5-4-6-16-31/h7-12,17,29H,3-6,13-16,18H2,1-2H3,(H,28,32)
InChIKeyGPGMZDYBWQWBJN-UHFFFAOYSA-N
XLogP5.24
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.03
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide
CID 118728586
2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889501
5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 118728584
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087
6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide
CID 155810174
5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide
CID 118727855
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109215435
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide (CID 169175710) is 5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide is CCN(C)Cc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is GPGMZDYBWQWBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O/c1-3-30(2)18-23-22-17-20(27)9-12-24(22)29-25(23)26(32)28-14-13-19-7-10-21(11-8-19)31-15-5-4-6-16-31/h7-12,17,29H,3-6,13-16,18H2,1-2H3,(H,28,32).
What are the key properties of 5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide?
5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 453.03 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 169175710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).