N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide

C20H21FN4O — CID 167990540

IUPACN-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc2[nH]cc(C3CCNCC3)c2c1
InChIInChI=1S/C20H21FN4O/c21-14-2-3-17(22)19(10-14)25-20(26)13-1-4-18-15(9-13)16(11-24-18)12-5-7-23-8-6-12/h1-4,9-12,23-24H,5-8,22H2,(H,25,26)
InChIKeyXZOLAJYKROFCJB-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.61
Rot. Bonds3

About N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide

N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide (PubChem CID 167990540) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide
PubChem CID167990540
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc2[nH]cc(C3CCNCC3)c2c1
InChIInChI=1S/C20H21FN4O/c21-14-2-3-17(22)19(10-14)25-20(26)13-1-4-18-15(9-13)16(11-24-18)12-5-7-23-8-6-12/h1-4,9-12,23-24H,5-8,22H2,(H,25,26)
InChIKeyXZOLAJYKROFCJB-UHFFFAOYSA-N
XLogP3.61
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide
CID 110482325
N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide
CID 167775583
[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]piperidin-1-yl]-(3-piperidin-4-yl-1H-indol-5-yl)methanone
CID 167751656
N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 166270185
N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 167931145
4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 54306354
4-fluoro-N-[3-[1-[2-[2-[2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882268
5-fluoro-2-piperidin-4-ylaniline
CID 117103758
1-[1-(3-piperidin-4-yl-1H-indole-5-carbonyl)piperidin-3-yl]ethanone;hydrochloride
CID 167985225
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881551
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide (CID 167990540) is N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide is Nc1ccc(F)cc1NC(=O)c1ccc2[nH]cc(C3CCNCC3)c2c1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide?
The InChIKey is XZOLAJYKROFCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-14-2-3-17(22)19(10-14)25-20(26)13-1-4-18-15(9-13)16(11-24-18)12-5-7-23-8-6-12/h1-4,9-12,23-24H,5-8,22H2,(H,25,26).
What are the key properties of N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide?
N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-3-piperidin-4-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 167990540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).