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

C25H27N3O3 — CID 110238262

IUPAC2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
SMILESCc1ccc(OC(C)C(=O)N2CCCC(c3nc4ccccc4cc3C(N)=O)C2)cc1
InChIInChI=1S/C25H27N3O3/c1-16-9-11-20(12-10-16)31-17(2)25(30)28-13-5-7-19(15-28)23-21(24(26)29)14-18-6-3-4-8-22(18)27-23/h3-4,6,8-12,14,17,19H,5,7,13,15H2,1-2H3,(H2,26,29)
InChIKeyCRPGWVCIUUJTGU-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.82
Rot. Bonds5

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

2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide (PubChem CID 110238262) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
PubChem CID110238262
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
SMILESCc1ccc(OC(C)C(=O)N2CCCC(c3nc4ccccc4cc3C(N)=O)C2)cc1
InChIInChI=1S/C25H27N3O3/c1-16-9-11-20(12-10-16)31-17(2)25(30)28-13-5-7-19(15-28)23-21(24(26)29)14-18-6-3-4-8-22(18)27-23/h3-4,6,8-12,14,17,19H,5,7,13,15H2,1-2H3,(H2,26,29)
InChIKeyCRPGWVCIUUJTGU-UHFFFAOYSA-N
XLogP3.82
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 110237800
2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 110237795
2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
CID 95856590
2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238205
2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 110237812
6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238288
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238113
(2S)-1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 9235851
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 62916587
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 119397025

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide (CID 110238262) is 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide is Cc1ccc(OC(C)C(=O)N2CCCC(c3nc4ccccc4cc3C(N)=O)C2)cc1.
What is the InChIKey of 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide?
The InChIKey is CRPGWVCIUUJTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-16-9-11-20(12-10-16)31-17(2)25(30)28-13-5-7-19(15-28)23-21(24(26)29)14-18-6-3-4-8-22(18)27-23/h3-4,6,8-12,14,17,19H,5,7,13,15H2,1-2H3,(H2,26,29).
What are the key properties of 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide?
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 110238262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).