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

C24H28ClN3O — CID 20801076

IUPAC1-[(4-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClN3O/c1-17(2)27-13-11-21(12-14-27)26-24(29)23-15-19-5-3-4-6-22(19)28(23)16-18-7-9-20(25)10-8-18/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,26,29)
InChIKeyFXQMOQVEXWRJHX-UHFFFAOYSA-N
MW409.96 g/mol
LogP4.95
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801076) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID20801076
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClN3O/c1-17(2)27-13-11-21(12-14-27)26-24(29)23-15-19-5-3-4-6-22(19)28(23)16-18-7-9-20(25)10-8-18/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,26,29)
InChIKeyFXQMOQVEXWRJHX-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801076) is 1-[(4-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is FXQMOQVEXWRJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c1-17(2)27-13-11-21(12-14-27)26-24(29)23-15-19-5-3-4-6-22(19)28(23)16-18-7-9-20(25)10-8-18/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,26,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-[(4-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-[(4-chlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).