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

C25H30ClN3O — CID 20801026

IUPAC1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2cc3ccccc3n2Cc2ccccc2Cl)CC1
InChIInChI=1S/C25H30ClN3O/c1-18(2)28-13-11-19(12-14-28)16-27-25(30)24-15-20-7-4-6-10-23(20)29(24)17-21-8-3-5-9-22(21)26/h3-10,15,18-19H,11-14,16-17H2,1-2H3,(H,27,30)
InChIKeyJVAKMSCSHOGONP-UHFFFAOYSA-N
MW423.99 g/mol
LogP5.19
Rot. Bonds6

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

1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide (PubChem CID 20801026) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
PubChem CID20801026
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2cc3ccccc3n2Cc2ccccc2Cl)CC1
InChIInChI=1S/C25H30ClN3O/c1-18(2)28-13-11-19(12-14-28)16-27-25(30)24-15-20-7-4-6-10-23(20)29(24)17-21-8-3-5-9-22(21)26/h3-10,15,18-19H,11-14,16-17H2,1-2H3,(H,27,30)
InChIKeyJVAKMSCSHOGONP-UHFFFAOYSA-N
XLogP5.19
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 ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide (CID 20801026) is 1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide is CC(C)N1CCC(CNC(=O)c2cc3ccccc3n2Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide?
The InChIKey is JVAKMSCSHOGONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O/c1-18(2)28-13-11-19(12-14-28)16-27-25(30)24-15-20-7-4-6-10-23(20)29(24)17-21-8-3-5-9-22(21)26/h3-10,15,18-19H,11-14,16-17H2,1-2H3,(H,27,30).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide has a molecular weight of 423.99 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide is sourced from PubChem (CID 20801026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).