5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide

C28H31N3O3 — CID 26347474

IUPAC5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCCN1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4cccc5cccnc45)cc3c2)CC1
InChIInChI=1S/C28H31N3O3/c1-3-14-31-15-11-28(33,12-16-31)23-9-10-24-22(17-23)18-25(34-24)27(32)30(2)19-21-7-4-6-20-8-5-13-29-26(20)21/h4-10,13,17-18,33H,3,11-12,14-16,19H2,1-2H3
InChIKeyKDDYAORKJNLCHN-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.95
Rot. Bonds6

About 5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide

5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 26347474) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID26347474
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCCN1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4cccc5cccnc45)cc3c2)CC1
InChIInChI=1S/C28H31N3O3/c1-3-14-31-15-11-28(33,12-16-31)23-9-10-24-22(17-23)18-25(34-24)27(32)30(2)19-21-7-4-6-20-8-5-13-29-26(20)21/h4-10,13,17-18,33H,3,11-12,14-16,19H2,1-2H3
InChIKeyKDDYAORKJNLCHN-UHFFFAOYSA-N
XLogP4.95
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-hydroxy-1-[(2R)-2-methylbutyl]piperidin-4-yl]-N-methyl-N-(quinolin-5-ylmethyl)-1-benzofuran-2-carboxamide
CID 26339566
5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide
CID 26338813
5-[4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide
CID 42371656
5-[1-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 42473090
5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]-N-methyl-N-(2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
CID 42485211
5-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 26352465
N-[2-(2-fluorophenyl)ethyl]-5-[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-benzofuran-2-carboxamide
CID 42318748
5-[1-[(2,4-difluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 26361186
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 30956846
N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-[(2-methylphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 26334405
N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 25292202

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide (CID 26347474) is 5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide is CCCN1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4cccc5cccnc45)cc3c2)CC1.
What is the InChIKey of 5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is KDDYAORKJNLCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-3-14-31-15-11-28(33,12-16-31)23-9-10-24-22(17-23)18-25(34-24)27(32)30(2)19-21-7-4-6-20-8-5-13-29-26(20)21/h4-10,13,17-18,33H,3,11-12,14-16,19H2,1-2H3.
What are the key properties of 5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide?
5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-1-propylpiperidin-4-yl)-N-methyl-N-(quinolin-8-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26347474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).