N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide

C27H27F3N4O — CID 22909452

IUPACN-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide
SMILESO=C(NCCCN1CCC(c2c[nH]c3cccc(C(F)(F)F)c23)CC1)c1ccnc2ccccc12
InChIInChI=1S/C27H27F3N4O/c28-27(29,30)22-6-3-8-24-25(22)21(17-33-24)18-10-15-34(16-11-18)14-4-12-32-26(35)20-9-13-31-23-7-2-1-5-19(20)23/h1-3,5-9,13,17-18,33H,4,10-12,14-16H2,(H,32,35)
InChIKeyMRHVLMBERYAZFC-UHFFFAOYSA-N
MW480.53 g/mol
LogP5.73
Rot. Bonds6

About N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide

N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide (PubChem CID 22909452) has the molecular formula C27H27F3N4O and a molecular weight of 480.53 g/mol. Its IUPAC name is N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide
PubChem CID22909452
Molecular FormulaC27H27F3N4O
Molecular Weight480.53 g/mol
Exact Mass480.21
IUPAC NameN-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide
SMILESO=C(NCCCN1CCC(c2c[nH]c3cccc(C(F)(F)F)c23)CC1)c1ccnc2ccccc12
InChIInChI=1S/C27H27F3N4O/c28-27(29,30)22-6-3-8-24-25(22)21(17-33-24)18-10-15-34(16-11-18)14-4-12-32-26(35)20-9-13-31-23-7-2-1-5-19(20)23/h1-3,5-9,13,17-18,33H,4,10-12,14-16H2,(H,32,35)
InChIKeyMRHVLMBERYAZFC-UHFFFAOYSA-N
XLogP5.73
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(4-cyano-1H-indol-3-yl)piperidin-1-yl]propyl]quinoline-4-carboxamide
CID 22909477
N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]isoquinoline-1-carboxamide
CID 22909497
N-[3-[4-(6-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]isoquinoline-1-carboxamide
CID 22909402
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
(E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 44533324
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
(Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 66595400
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 166205908
(2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide
CID 44533348
N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide
CID 78885440
N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide
CID 106307902

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide?
The IUPAC name of N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide (CID 22909452) is N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide?
The canonical SMILES for N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide is O=C(NCCCN1CCC(c2c[nH]c3cccc(C(F)(F)F)c23)CC1)c1ccnc2ccccc12.
What is the InChIKey of N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide?
The InChIKey is MRHVLMBERYAZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O/c28-27(29,30)22-6-3-8-24-25(22)21(17-33-24)18-10-15-34(16-11-18)14-4-12-32-26(35)20-9-13-31-23-7-2-1-5-19(20)23/h1-3,5-9,13,17-18,33H,4,10-12,14-16H2,(H,32,35).
What are the key properties of N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide?
N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]propyl]quinoline-4-carboxamide is sourced from PubChem (CID 22909452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).