N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide

C23H27FN4O — CID 156599544

IUPACN-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2cc(C(=O)Nc3cccc(N4CCC(N(C)C)CC4)c3)[nH]c12
InChIInChI=1S/C23H27FN4O/c1-15-7-8-20(24)19-14-21(26-22(15)19)23(29)25-16-5-4-6-18(13-16)28-11-9-17(10-12-28)27(2)3/h4-8,13-14,17,26H,9-12H2,1-3H3,(H,25,29)
InChIKeyGBIAQCRLFDZGOQ-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.40
Rot. Bonds4

About N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide

N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide (PubChem CID 156599544) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide
PubChem CID156599544
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC NameN-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2cc(C(=O)Nc3cccc(N4CCC(N(C)C)CC4)c3)[nH]c12
InChIInChI=1S/C23H27FN4O/c1-15-7-8-20(24)19-14-21(26-22(15)19)23(29)25-16-5-4-6-18(13-16)28-11-9-17(10-12-28)27(2)3/h4-8,13-14,17,26H,9-12H2,1-3H3,(H,25,29)
InChIKeyGBIAQCRLFDZGOQ-UHFFFAOYSA-N
XLogP4.40
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide (CID 156599544) is N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide is Cc1ccc(F)c2cc(C(=O)Nc3cccc(N4CCC(N(C)C)CC4)c3)[nH]c12.
What is the InChIKey of N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide?
The InChIKey is GBIAQCRLFDZGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-15-7-8-20(24)19-14-21(26-22(15)19)23(29)25-16-5-4-6-18(13-16)28-11-9-17(10-12-28)27(2)3/h4-8,13-14,17,26H,9-12H2,1-3H3,(H,25,29).
What are the key properties of N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide?
N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 156599544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).