N-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide

C29H26FN3O2 — CID 71661445

IUPACN-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
SMILESO=C(NCC1CC[C@H](F)CN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C29H26FN3O2/c30-22-15-16-23(18-32-28(34)26-14-6-10-21-11-7-17-31-27(21)26)33(19-22)29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22-23H,15-16,18-19H2,(H,32,34)/t22-,23?/m0/s1
InChIKeySVWRBCQUGLPUCX-NQCNTLBGSA-N
MW467.54 g/mol
LogP5.27
Rot. Bonds5

About N-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide

N-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide (PubChem CID 71661445) has the molecular formula C29H26FN3O2 and a molecular weight of 467.54 g/mol. Its IUPAC name is N-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
PubChem CID71661445
Molecular FormulaC29H26FN3O2
Molecular Weight467.54 g/mol
Exact Mass467.20
IUPAC NameN-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
SMILESO=C(NCC1CC[C@H](F)CN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C29H26FN3O2/c30-22-15-16-23(18-32-28(34)26-14-6-10-21-11-7-17-31-27(21)26)33(19-22)29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22-23H,15-16,18-19H2,(H,32,34)/t22-,23?/m0/s1
InChIKeySVWRBCQUGLPUCX-NQCNTLBGSA-N
XLogP5.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide (CID 71661445) is N-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide is O=C(NCC1CC[C@H](F)CN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12.
What is the InChIKey of N-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide?
The InChIKey is SVWRBCQUGLPUCX-NQCNTLBGSA-N. The full InChI is InChI=1S/C29H26FN3O2/c30-22-15-16-23(18-32-28(34)26-14-6-10-21-11-7-17-31-27(21)26)33(19-22)29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22-23H,15-16,18-19H2,(H,32,34)/t22-,23?/m0/s1.
What are the key properties of N-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide?
N-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide has a molecular weight of 467.54 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 71661445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).