1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C23H26ClN3O — CID 20801082

IUPAC1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClN3O/c1-16(2)26-13-11-19(12-14-26)25-23(28)22-15-17-5-3-4-6-21(17)27(22)20-9-7-18(24)8-10-20/h3-10,15-16,19H,11-14H2,1-2H3,(H,25,28)
InChIKeyPJTYIXSRDGSRKB-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.89
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801082) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID20801082
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClN3O/c1-16(2)26-13-11-19(12-14-26)25-23(28)22-15-17-5-3-4-6-21(17)27(22)20-9-7-18(24)8-10-20/h3-10,15-16,19H,11-14H2,1-2H3,(H,25,28)
InChIKeyPJTYIXSRDGSRKB-UHFFFAOYSA-N
XLogP4.89
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801082) is 1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3ccccc3n2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is PJTYIXSRDGSRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-16(2)26-13-11-19(12-14-26)25-23(28)22-15-17-5-3-4-6-21(17)27(22)20-9-7-18(24)8-10-20/h3-10,15-16,19H,11-14H2,1-2H3,(H,25,28).
What are the key properties of 1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 395.93 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).