N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide

C28H30N4O3 — CID 169094772

IUPACN-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2occc2c1)C1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1
InChIInChI=1S/C28H30N4O3/c33-28(30-24-6-9-26-22(17-24)12-16-34-26)21-10-13-31(14-11-21)25-7-4-20(5-8-25)23-18-29-32(19-23)27-3-1-2-15-35-27/h4-9,12,16-19,21,27H,1-3,10-11,13-15H2,(H,30,33)
InChIKeyXZZRDPWSFPKXEC-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.85
Rot. Bonds5

About N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide

N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide (PubChem CID 169094772) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
PubChem CID169094772
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2occc2c1)C1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1
InChIInChI=1S/C28H30N4O3/c33-28(30-24-6-9-26-22(17-24)12-16-34-26)21-10-13-31(14-11-21)25-7-4-20(5-8-25)23-18-29-32(19-23)27-3-1-2-15-35-27/h4-9,12,16-19,21,27H,1-3,10-11,13-15H2,(H,30,33)
InChIKeyXZZRDPWSFPKXEC-UHFFFAOYSA-N
XLogP5.85
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
CID 169094730
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 169094884
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate
CID 175453155
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine
CID 169094860
N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide
CID 58653146
N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide
CID 169094668
4-[1-(oxan-2-yl)pyrazol-4-yl]phthalaldehyde
CID 162696460
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
2-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-3,4-dihydroisoquinolin-1-one
CID 169094842
1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 53166089
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide (CID 169094772) is N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide is O=C(Nc1ccc2occc2c1)C1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1.
What is the InChIKey of N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide?
The InChIKey is XZZRDPWSFPKXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c33-28(30-24-6-9-26-22(17-24)12-16-34-26)21-10-13-31(14-11-21)25-7-4-20(5-8-25)23-18-29-32(19-23)27-3-1-2-15-35-27/h4-9,12,16-19,21,27H,1-3,10-11,13-15H2,(H,30,33).
What are the key properties of N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide?
N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 169094772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).