N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide

C25H27FN2O4 — CID 42853300

IUPACN-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C25H27FN2O4/c1-30-22-10-9-21(16-24(22)31-2)28(25(29)23-4-3-15-32-23)20-11-13-27(14-12-20)17-18-5-7-19(26)8-6-18/h3-10,15-16,20H,11-14,17H2,1-2H3
InChIKeyRPWBYXNQZXWLEF-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.75
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide

N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide (PubChem CID 42853300) has the molecular formula C25H27FN2O4 and a molecular weight of 438.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide
PubChem CID42853300
Molecular FormulaC25H27FN2O4
Molecular Weight438.50 g/mol
Exact Mass438.20
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C25H27FN2O4/c1-30-22-10-9-21(16-24(22)31-2)28(25(29)23-4-3-15-32-23)20-11-13-27(14-12-20)17-18-5-7-19(26)8-6-18/h3-10,15-16,20H,11-14,17H2,1-2H3
InChIKeyRPWBYXNQZXWLEF-UHFFFAOYSA-N
XLogP4.75
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42853305
N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 42853216
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 42858157
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 46161815
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 42853344
N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide
CID 42858050
N-(3,4-dimethoxyphenyl)-N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]acetamide
CID 46054543
N-(3,4-dimethoxyphenyl)-2-methoxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 42853326
N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide
CID 42858172
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42858284
3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055084

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide (CID 42853300) is N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide is COc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3ccc(F)cc3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide?
The InChIKey is RPWBYXNQZXWLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4/c1-30-22-10-9-21(16-24(22)31-2)28(25(29)23-4-3-15-32-23)20-11-13-27(14-12-20)17-18-5-7-19(26)8-6-18/h3-10,15-16,20H,11-14,17H2,1-2H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide?
N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide has a molecular weight of 438.50 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 42853300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).