N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide

C25H26N2O4 — CID 42227002

IUPACN-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c(OCc2ccccc2)co1
InChIInChI=1S/C25H26N2O4/c28-22-15-23(31-18-24(22)30-17-20-9-5-2-6-10-20)25(29)26-21-11-13-27(14-12-21)16-19-7-3-1-4-8-19/h1-10,15,18,21H,11-14,16-17H2,(H,26,29)
InChIKeyXSUMBQOCASRTKY-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.61
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide

N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide (PubChem CID 42227002) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
PubChem CID42227002
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c(OCc2ccccc2)co1
InChIInChI=1S/C25H26N2O4/c28-22-15-23(31-18-24(22)30-17-20-9-5-2-6-10-20)25(29)26-21-11-13-27(14-12-21)16-19-7-3-1-4-8-19/h1-10,15,18,21H,11-14,16-17H2,(H,26,29)
InChIKeyXSUMBQOCASRTKY-UHFFFAOYSA-N
XLogP3.61
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide
CID 154225250
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
methyl 4-[[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxymethyl]benzoate
CID 16812841
N-(1-benzylpiperidin-4-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 127254911
ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate
CID 42317305
2-(azepane-1-carbonyl)-5-phenylmethoxypyran-4-one
CID 42226882
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45490762
N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666398
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39966113
N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide
CID 15167739
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide (CID 42227002) is N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c(OCc2ccccc2)co1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The InChIKey is XSUMBQOCASRTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c28-22-15-23(31-18-24(22)30-17-20-9-5-2-6-10-20)25(29)26-21-11-13-27(14-12-21)16-19-7-3-1-4-8-19/h1-10,15,18,21H,11-14,16-17H2,(H,26,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide is sourced from PubChem (CID 42227002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).