N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide

C23H24N2O3 — CID 45175122

IUPACN-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccco2)cc1)C1CCCN(Cc2ccccc2O)C1
InChIInChI=1S/C23H24N2O3/c26-21-7-2-1-5-18(21)15-25-13-3-6-19(16-25)23(27)24-20-11-9-17(10-12-20)22-8-4-14-28-22/h1-2,4-5,7-12,14,19,26H,3,6,13,15-16H2,(H,24,27)
InChIKeyKEVOERSWOZWCEO-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.50
Rot. Bonds5

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

N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 45175122) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID45175122
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccco2)cc1)C1CCCN(Cc2ccccc2O)C1
InChIInChI=1S/C23H24N2O3/c26-21-7-2-1-5-18(21)15-25-13-3-6-19(16-25)23(27)24-20-11-9-17(10-12-20)22-8-4-14-28-22/h1-2,4-5,7-12,14,19,26H,3,6,13,15-16H2,(H,24,27)
InChIKeyKEVOERSWOZWCEO-UHFFFAOYSA-N
XLogP4.50
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidine-3-carboxamide
CID 162659444
(3R)-N-[4-(furan-2-yl)phenyl]-1-(3-methylsulfanylpropyl)piperidine-3-carboxamide
CID 42191121
(3S)-N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 94909017
(3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 25374621
(3R)-N-[4-(furan-2-yl)phenyl]-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-3-carboxamide
CID 42526517
(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide
CID 42348707
1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24790060
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
N-(4-fluorophenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921446
1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919649
1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43919760

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide (CID 45175122) is N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide is O=C(Nc1ccc(-c2ccco2)cc1)C1CCCN(Cc2ccccc2O)C1.
What is the InChIKey of N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is KEVOERSWOZWCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-21-7-2-1-5-18(21)15-25-13-3-6-19(16-25)23(27)24-20-11-9-17(10-12-20)22-8-4-14-28-22/h1-2,4-5,7-12,14,19,26H,3,6,13,15-16H2,(H,24,27).
What are the key properties of N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide?
N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45175122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).