2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide

C25H27N3O4 — CID 110237795

IUPAC2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
SMILESCOc1cccc(OC(C)C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)c1
InChIInChI=1S/C25H27N3O4/c1-16(32-20-8-5-7-19(15-20)31-2)25(30)28-12-10-17(11-13-28)23-21(24(26)29)14-18-6-3-4-9-22(18)27-23/h3-9,14-17H,10-13H2,1-2H3,(H2,26,29)
InChIKeyXNRZRBXPEUQOSN-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.52
Rot. Bonds6

About 2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide

2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide (PubChem CID 110237795) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
PubChem CID110237795
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
SMILESCOc1cccc(OC(C)C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)c1
InChIInChI=1S/C25H27N3O4/c1-16(32-20-8-5-7-19(15-20)31-2)25(30)28-12-10-17(11-13-28)23-21(24(26)29)14-18-6-3-4-9-22(18)27-23/h3-9,14-17H,10-13H2,1-2H3,(H2,26,29)
InChIKeyXNRZRBXPEUQOSN-UHFFFAOYSA-N
XLogP3.52
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 110237800
2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 110237812
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238262
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628861
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238113
2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
CID 95856590
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
CID 166219750
1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 134408234
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide?
The IUPAC name of 2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide (CID 110237795) is 2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide.
What is the SMILES notation for 2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide?
The canonical SMILES for 2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide is COc1cccc(OC(C)C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)c1.
What is the InChIKey of 2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide?
The InChIKey is XNRZRBXPEUQOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-16(32-20-8-5-7-19(15-20)31-2)25(30)28-12-10-17(11-13-28)23-21(24(26)29)14-18-6-3-4-9-22(18)27-23/h3-9,14-17H,10-13H2,1-2H3,(H2,26,29).
What are the key properties of 2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide?
2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide is sourced from PubChem (CID 110237795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).