6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide

C22H25FN4O — CID 135324738

IUPAC6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCNC1CCNCC1)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C22H25FN4O/c23-18-5-3-15(4-6-18)16-1-2-17-14-21(27-20(17)13-16)22(28)26-12-11-25-19-7-9-24-10-8-19/h1-6,13-14,19,24-25,27H,7-12H2,(H,26,28)
InChIKeyYIMDEMGBMNRVFD-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.05
Rot. Bonds6

About 6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide

6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide (PubChem CID 135324738) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide
PubChem CID135324738
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCNC1CCNCC1)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C22H25FN4O/c23-18-5-3-15(4-6-18)16-1-2-17-14-21(27-20(17)13-16)22(28)26-12-11-25-19-7-9-24-10-8-19/h1-6,13-14,19,24-25,27H,7-12H2,(H,26,28)
InChIKeyYIMDEMGBMNRVFD-UHFFFAOYSA-N
XLogP3.05
TPSA68.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride
CID 135324452
N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 135324289
4-[(4-aminocyclohexyl)amino]-1-[6-(4-fluorophenyl)-1H-indol-2-yl]butan-1-one
CID 159141899
N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride
CID 135324778
[(2S)-5-azaniumyl-5-cyclopropyl-1-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]pentan-2-yl]azanium dichloride
CID 135324301
[(3S)-3-chloro-4-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]butyl]azanium
CID 156664162
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 135324109
N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 135324352
N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 151951735
6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207440
N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide
CID 164625128
N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide
CID 110852734

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide (CID 135324738) is 6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide is O=C(NCCNC1CCNCC1)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide?
The InChIKey is YIMDEMGBMNRVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c23-18-5-3-15(4-6-18)16-1-2-17-14-21(27-20(17)13-16)22(28)26-12-11-25-19-7-9-24-10-8-19/h1-6,13-14,19,24-25,27H,7-12H2,(H,26,28).
What are the key properties of 6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide?
6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 135324738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).