5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid

C32H32N2O3 — CID 57411738

IUPAC5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid
SMILESO=C(O)CCCCc1cc2cc(C(=O)N3CCC[C@H](c4ccccc4)C3)ccc2nc1-c1ccccc1
InChIInChI=1S/C32H32N2O3/c35-30(36)16-8-7-14-25-20-28-21-26(17-18-29(28)33-31(25)24-12-5-2-6-13-24)32(37)34-19-9-15-27(22-34)23-10-3-1-4-11-23/h1-6,10-13,17-18,20-21,27H,7-9,14-16,19,22H2,(H,35,36)/t27-/m0/s1
InChIKeyBDYNFBDTOUUICZ-MHZLTWQESA-N
MW492.62 g/mol
LogP6.72
Rot. Bonds8

About 5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid

5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid (PubChem CID 57411738) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid.

Molecular Properties

Compound Name5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid
PubChem CID57411738
Molecular FormulaC32H32N2O3
Molecular Weight492.62 g/mol
Exact Mass492.24
IUPAC Name5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid
SMILESO=C(O)CCCCc1cc2cc(C(=O)N3CCC[C@H](c4ccccc4)C3)ccc2nc1-c1ccccc1
InChIInChI=1S/C32H32N2O3/c35-30(36)16-8-7-14-25-20-28-21-26(17-18-29(28)33-31(25)24-12-5-2-6-13-24)32(37)34-19-9-15-27(22-34)23-10-3-1-4-11-23/h1-6,10-13,17-18,20-21,27H,7-9,14-16,19,22H2,(H,35,36)/t27-/m0/s1
InChIKeyBDYNFBDTOUUICZ-MHZLTWQESA-N
XLogP6.72
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide
CID 126659131
5-[2-(4-chlorophenyl)-6-(3-phenylazetidine-1-carbonyl)quinolin-3-yl]pentanoic acid
CID 57411508
5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid
CID 57410871
5-[6-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-2-phenylquinolin-3-yl]pentanoic acid
CID 57410664
5-[6-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoyl]-2-phenylquinolin-3-yl]pentanoic acid
CID 57410300
5-[2-(4-fluorophenyl)-6-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)quinolin-3-yl]pentanoic acid
CID 76526732
(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 155682211
5-[2-phenyl-6-(3-phenylpiperidine-1-carbonyl)-4a,5-dihydroquinolin-3-yl]pentanoic acid
CID 123268315
5-[2-phenyl-6-[[[(1R)-1-phenylethyl]amino]methyl]quinolin-3-yl]pentanoic acid
CID 126640572
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044

Frequently Asked Questions

What is the IUPAC name of 5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid?
The IUPAC name of 5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid (CID 57411738) is 5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid.
What is the SMILES notation for 5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid?
The canonical SMILES for 5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid is O=C(O)CCCCc1cc2cc(C(=O)N3CCC[C@H](c4ccccc4)C3)ccc2nc1-c1ccccc1.
What is the InChIKey of 5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid?
The InChIKey is BDYNFBDTOUUICZ-MHZLTWQESA-N. The full InChI is InChI=1S/C32H32N2O3/c35-30(36)16-8-7-14-25-20-28-21-26(17-18-29(28)33-31(25)24-12-5-2-6-13-24)32(37)34-19-9-15-27(22-34)23-10-3-1-4-11-23/h1-6,10-13,17-18,20-21,27H,7-9,14-16,19,22H2,(H,35,36)/t27-/m0/s1.
What are the key properties of 5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid?
5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid has a molecular weight of 492.62 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid is sourced from PubChem (CID 57411738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).