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

C25H27N3O3 — CID 110238113

IUPAC2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
SMILESCOc1ccccc1CCC(=O)N1CCCC(c2nc3ccccc3cc2C(N)=O)C1
InChIInChI=1S/C25H27N3O3/c1-31-22-11-5-3-7-17(22)12-13-23(29)28-14-6-9-19(16-28)24-20(25(26)30)15-18-8-2-4-10-21(18)27-24/h2-5,7-8,10-11,15,19H,6,9,12-14,16H2,1H3,(H2,26,30)
InChIKeyYZSDEQNTIHKFQP-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.68
Rot. Bonds6

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

2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide (PubChem CID 110238113) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
PubChem CID110238113
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
SMILESCOc1ccccc1CCC(=O)N1CCCC(c2nc3ccccc3cc2C(N)=O)C1
InChIInChI=1S/C25H27N3O3/c1-31-22-11-5-3-7-17(22)12-13-23(29)28-14-6-9-19(16-28)24-20(25(26)30)15-18-8-2-4-10-21(18)27-24/h2-5,7-8,10-11,15,19H,6,9,12-14,16H2,1H3,(H2,26,30)
InChIKeyYZSDEQNTIHKFQP-UHFFFAOYSA-N
XLogP3.68
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238182
2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
CID 95856590
2-[3-[(3S)-1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126452910
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238205
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238262
1-[(3S)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 95854952
3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 124963042
2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238096
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 56861948
1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one
CID 110222612
1-[3-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 127248664

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide (CID 110238113) is 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide is COc1ccccc1CCC(=O)N1CCCC(c2nc3ccccc3cc2C(N)=O)C1.
What is the InChIKey of 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide?
The InChIKey is YZSDEQNTIHKFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-31-22-11-5-3-7-17(22)12-13-23(29)28-14-6-9-19(16-28)24-20(25(26)30)15-18-8-2-4-10-21(18)27-24/h2-5,7-8,10-11,15,19H,6,9,12-14,16H2,1H3,(H2,26,30).
What are the key properties of 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide?
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 110238113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).