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

C26H29N3O4 — CID 110237800

IUPAC2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
SMILESCCOc1ccc(OC(C)C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)cc1
InChIInChI=1S/C26H29N3O4/c1-3-32-20-8-10-21(11-9-20)33-17(2)26(31)29-14-12-18(13-15-29)24-22(25(27)30)16-19-6-4-5-7-23(19)28-24/h4-11,16-18H,3,12-15H2,1-2H3,(H2,27,30)
InChIKeyHGMYWQORBFGPAV-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.91
Rot. Bonds7

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

2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide (PubChem CID 110237800) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
PubChem CID110237800
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
SMILESCCOc1ccc(OC(C)C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)cc1
InChIInChI=1S/C26H29N3O4/c1-3-32-20-8-10-21(11-9-20)33-17(2)26(31)29-14-12-18(13-15-29)24-22(25(27)30)16-19-6-4-5-7-23(19)28-24/h4-11,16-18H,3,12-15H2,1-2H3,(H2,27,30)
InChIKeyHGMYWQORBFGPAV-UHFFFAOYSA-N
XLogP3.91
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 110237795
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238262
2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 110237812
(2R)-2-(4-ethoxyphenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92593870
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858
(2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one
CID 40784143
5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628861
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
CID 166219750
4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136735325
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
CID 95856590

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide?
The IUPAC name of 2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide (CID 110237800) is 2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide.
What is the SMILES notation for 2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide?
The canonical SMILES for 2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide is CCOc1ccc(OC(C)C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)cc1.
What is the InChIKey of 2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide?
The InChIKey is HGMYWQORBFGPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-3-32-20-8-10-21(11-9-20)33-17(2)26(31)29-14-12-18(13-15-29)24-22(25(27)30)16-19-6-4-5-7-23(19)28-24/h4-11,16-18H,3,12-15H2,1-2H3,(H2,27,30).
What are the key properties of 2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide?
2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide is sourced from PubChem (CID 110237800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).