1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide

C23H25N3O4 — CID 56534680

IUPAC1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide
SMILESO=C(NCCCOc1cccc2cccnc12)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C23H25N3O4/c27-22(18-7-12-26(13-8-18)23(28)19-9-15-29-16-19)25-11-3-14-30-20-6-1-4-17-5-2-10-24-21(17)20/h1-2,4-6,9-10,15-16,18H,3,7-8,11-14H2,(H,25,27)
InChIKeyHDSXDHDONBPYOO-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.27
Rot. Bonds7

About 1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide

1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide (PubChem CID 56534680) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide
PubChem CID56534680
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide
SMILESO=C(NCCCOc1cccc2cccnc12)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C23H25N3O4/c27-22(18-7-12-26(13-8-18)23(28)19-9-15-29-16-19)25-11-3-14-30-20-6-1-4-17-5-2-10-24-21(17)20/h1-2,4-6,9-10,15-16,18H,3,7-8,11-14H2,(H,25,27)
InChIKeyHDSXDHDONBPYOO-UHFFFAOYSA-N
XLogP3.27
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

furan-3-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625340
1-(furan-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35555974
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 51125128
(2S)-N-(3-quinolin-8-yloxypropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 56535222
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide
CID 56585573
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide
CID 56534724
1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide
CID 56534694
1-(furan-3-carbonyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 35751247
1-(3,5-difluorophenyl)-5-oxo-N-(3-quinolin-8-yloxypropyl)pyrrolidine-3-carboxamide
CID 56585634
2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide
CID 56534973

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide (CID 56534680) is 1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide is O=C(NCCCOc1cccc2cccnc12)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is HDSXDHDONBPYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-22(18-7-12-26(13-8-18)23(28)19-9-15-29-16-19)25-11-3-14-30-20-6-1-4-17-5-2-10-24-21(17)20/h1-2,4-6,9-10,15-16,18H,3,7-8,11-14H2,(H,25,27).
What are the key properties of 1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide?
1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 56534680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).