N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide

C23H27N3O2 — CID 18161323

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCC(c3ccco3)N3CCCCC3)c2c1
InChIInChI=1S/C23H27N3O2/c1-16-8-9-20-18(13-16)19(14-17(2)25-20)23(27)24-15-21(22-7-6-12-28-22)26-10-4-3-5-11-26/h6-9,12-14,21H,3-5,10-11,15H2,1-2H3,(H,24,27)
InChIKeyWIGWURMVIYRZTD-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.40
Rot. Bonds5

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 18161323) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID18161323
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCC(c3ccco3)N3CCCCC3)c2c1
InChIInChI=1S/C23H27N3O2/c1-16-8-9-20-18(13-16)19(14-17(2)25-20)23(27)24-15-21(22-7-6-12-28-22)26-10-4-3-5-11-26/h6-9,12-14,21H,3-5,10-11,15H2,1-2H3,(H,24,27)
InChIKeyWIGWURMVIYRZTD-UHFFFAOYSA-N
XLogP4.40
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
2-cyclopropyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]quinoline-4-carboxamide
CID 55376459
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
2-cyclopropyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 17430843
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55582051
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 24982269
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 26833968

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide (CID 18161323) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)NCC(c3ccco3)N3CCCCC3)c2c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is WIGWURMVIYRZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-8-9-20-18(13-16)19(14-17(2)25-20)23(27)24-15-21(22-7-6-12-28-22)26-10-4-3-5-11-26/h6-9,12-14,21H,3-5,10-11,15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 18161323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).