N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide

C17H25N3O — CID 107163981

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCN1CCC(C)(CNC(=O)C2CNc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-17(7-9-20(2)10-8-17)12-19-16(21)14-11-18-15-6-4-3-5-13(14)15/h3-6,14,18H,7-12H2,1-2H3,(H,19,21)
InChIKeyXMOJFWGFODVNBN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.04
Rot. Bonds3

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 107163981) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID107163981
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCN1CCC(C)(CNC(=O)C2CNc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-17(7-9-20(2)10-8-17)12-19-16(21)14-11-18-15-6-4-3-5-13(14)15/h3-6,14,18H,7-12H2,1-2H3,(H,19,21)
InChIKeyXMOJFWGFODVNBN-UHFFFAOYSA-N
XLogP2.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 107163981) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide is CN1CCC(C)(CNC(=O)C2CNc3ccccc32)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is XMOJFWGFODVNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(7-9-20(2)10-8-17)12-19-16(21)14-11-18-15-6-4-3-5-13(14)15/h3-6,14,18H,7-12H2,1-2H3,(H,19,21).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 107163981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).