N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide

C25H28N2O4 — CID 56555280

IUPACN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1occc1COc1ccccc1
InChIInChI=1S/C25H28N2O4/c28-22-10-13-27(14-11-22)17-20-8-6-19(7-9-20)16-26-25(29)24-21(12-15-30-24)18-31-23-4-2-1-3-5-23/h1-9,12,15,22,28H,10-11,13-14,16-18H2,(H,26,29)
InChIKeySTRDQGGPDVFSJB-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.75
Rot. Bonds8

About N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 56555280) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID56555280
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1occc1COc1ccccc1
InChIInChI=1S/C25H28N2O4/c28-22-10-13-27(14-11-22)17-20-8-6-19(7-9-20)16-26-25(29)24-21(12-15-30-24)18-31-23-4-2-1-3-5-23/h1-9,12,15,22,28H,10-11,13-14,16-18H2,(H,26,29)
InChIKeySTRDQGGPDVFSJB-UHFFFAOYSA-N
XLogP3.75
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 110883944
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46529748
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552174
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 30898695
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55743245
3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 146136645
N-(oxolan-2-ylmethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 43044718

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 56555280) is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide is O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1occc1COc1ccccc1.
What is the InChIKey of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is STRDQGGPDVFSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c28-22-10-13-27(14-11-22)17-20-8-6-19(7-9-20)16-26-25(29)24-21(12-15-30-24)18-31-23-4-2-1-3-5-23/h1-9,12,15,22,28H,10-11,13-14,16-18H2,(H,26,29).
What are the key properties of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 56555280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).