1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C24H28ClN3O — CID 20801045

IUPAC1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C24H28ClN3O/c1-17(2)27-12-10-21(11-13-27)26-24(29)23-15-19-7-3-4-9-22(19)28(23)16-18-6-5-8-20(25)14-18/h3-9,14-15,17,21H,10-13,16H2,1-2H3,(H,26,29)
InChIKeyLGFMFSIKXFRKMB-UHFFFAOYSA-N
MW409.96 g/mol
LogP4.95
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801045) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID20801045
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C24H28ClN3O/c1-17(2)27-12-10-21(11-13-27)26-24(29)23-15-19-7-3-4-9-22(19)28(23)16-18-6-5-8-20(25)14-18/h3-9,14-15,17,21H,10-13,16H2,1-2H3,(H,26,29)
InChIKeyLGFMFSIKXFRKMB-UHFFFAOYSA-N
XLogP4.95
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801045) is 1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is LGFMFSIKXFRKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c1-17(2)27-12-10-21(11-13-27)26-24(29)23-15-19-7-3-4-9-22(19)28(23)16-18-6-5-8-20(25)14-18/h3-9,14-15,17,21H,10-13,16H2,1-2H3,(H,26,29).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 409.96 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).