2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide

C20H21FN4O — CID 11952438

IUPAC2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide
SMILESNC(=O)c1ccc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C20H21FN4O/c21-13-5-3-12(4-6-13)18-10-16-17(24-14-2-1-9-23-11-14)8-7-15(20(22)26)19(16)25-18/h3-8,10,14,23-25H,1-2,9,11H2,(H2,22,26)/t14-/m0/s1
InChIKeyWKBSJXTYLRNRCT-AWEZNQCLSA-N
MW352.41 g/mol
LogP3.24
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide

2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide (PubChem CID 11952438) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide
PubChem CID11952438
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide
SMILESNC(=O)c1ccc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C20H21FN4O/c21-13-5-3-12(4-6-13)18-10-16-17(24-14-2-1-9-23-11-14)8-7-15(20(22)26)19(16)25-18/h3-8,10,14,23-25H,1-2,9,11H2,(H2,22,26)/t14-/m0/s1
InChIKeyWKBSJXTYLRNRCT-AWEZNQCLSA-N
XLogP3.24
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide (CID 11952438) is 2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide is NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)cc3)[nH]c12.
What is the InChIKey of 2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide?
The InChIKey is WKBSJXTYLRNRCT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-13-5-3-12(4-6-13)18-10-16-17(24-14-2-1-9-23-11-14)8-7-15(20(22)26)19(16)25-18/h3-8,10,14,23-25H,1-2,9,11H2,(H2,22,26)/t14-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide?
2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide is sourced from PubChem (CID 11952438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).