2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide

C30H32N4O2 — CID 117094608

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cc(NC2CCN(Cc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C30H32N4O2/c35-30(31-17-20-36-25-11-5-2-6-12-25)27-21-29(33-28-14-8-7-13-26(27)28)32-24-15-18-34(19-16-24)22-23-9-3-1-4-10-23/h1-14,21,24H,15-20,22H2,(H,31,35)(H,32,33)
InChIKeyGPXMIORIJVUOPE-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.12
Rot. Bonds9

About 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide

2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide (PubChem CID 117094608) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide
PubChem CID117094608
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cc(NC2CCN(Cc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C30H32N4O2/c35-30(31-17-20-36-25-11-5-2-6-12-25)27-21-29(33-28-14-8-7-13-26(27)28)32-24-15-18-34(19-16-24)22-23-9-3-1-4-10-23/h1-14,21,24H,15-20,22H2,(H,31,35)(H,32,33)
InChIKeyGPXMIORIJVUOPE-UHFFFAOYSA-N
XLogP5.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 117086090
N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090736
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
2-hydrazinyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 62235922
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 71495429

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide (CID 117094608) is 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide is O=C(NCCOc1ccccc1)c1cc(NC2CCN(Cc3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide?
The InChIKey is GPXMIORIJVUOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c35-30(31-17-20-36-25-11-5-2-6-12-25)27-21-29(33-28-14-8-7-13-26(27)28)32-24-15-18-34(19-16-24)22-23-9-3-1-4-10-23/h1-14,21,24H,15-20,22H2,(H,31,35)(H,32,33).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide?
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide is sourced from PubChem (CID 117094608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).