5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine

C24H28FN3O — CID 25215212

IUPAC5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine
SMILESFc1cc(NC2CCN(C3CCOCC3)CC2)c2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C24H28FN3O/c25-19-14-18-15-22(17-4-2-1-3-5-17)27-24(18)23(16-19)26-20-6-10-28(11-7-20)21-8-12-29-13-9-21/h1-5,14-16,20-21,26-27H,6-13H2
InChIKeyZQQJODKCSYQPCG-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.03
Rot. Bonds4

About 5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine

5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine (PubChem CID 25215212) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is 5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine
PubChem CID25215212
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine
SMILESFc1cc(NC2CCN(C3CCOCC3)CC2)c2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C24H28FN3O/c25-19-14-18-15-22(17-4-2-1-3-5-17)27-24(18)23(16-19)26-20-6-10-28(11-7-20)21-8-12-29-13-9-21/h1-5,14-16,20-21,26-27H,6-13H2
InChIKeyZQQJODKCSYQPCG-UHFFFAOYSA-N
XLogP5.03
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopentyl-2-phenyl-1H-indol-7-amine
CID 25214710
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-phenyl-1H-indol-7-amine;5-chloro-N-(1-methylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
CID 68761398
5-methyl-N-(oxan-4-yl)-2-pyridin-2-yl-1H-indol-7-amine
CID 25213245
5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
CID 167454960
5-fluoro-2-[(4R)-4-(2-iodoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N-(oxan-4-yl)-1H-indol-7-amine
CID 59543019
2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 68795923
1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone
CID 66974200
N-(2-fluorophenyl)oxan-4-amine
CID 43608428
2-[(4S)-2-[7-(oxan-4-ylamino)-5-phenoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
CID 25196363
N-(5-cyclopropyl-4-fluoro-2-nitrophenyl)-1-(oxan-4-yl)piperidin-4-amine
CID 59850146
N-(2,3,5-trifluorophenyl)oxan-4-amine
CID 62810329
2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine
CID 133381147

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine?
The IUPAC name of 5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine (CID 25215212) is 5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine.
What is the SMILES notation for 5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine?
The canonical SMILES for 5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine is Fc1cc(NC2CCN(C3CCOCC3)CC2)c2[nH]c(-c3ccccc3)cc2c1.
What is the InChIKey of 5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine?
The InChIKey is ZQQJODKCSYQPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c25-19-14-18-15-22(17-4-2-1-3-5-17)27-24(18)23(16-19)26-20-6-10-28(11-7-20)21-8-12-29-13-9-21/h1-5,14-16,20-21,26-27H,6-13H2.
What are the key properties of 5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine?
5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine has a molecular weight of 393.51 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine is sourced from PubChem (CID 25215212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).