N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide

C23H24N2O2 — CID 112985405

IUPACN-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)cc1)c1ccco1
InChIInChI=1S/C23H24N2O2/c26-23(22-7-4-16-27-22)24-20-8-10-21(11-9-20)25-14-12-19(13-15-25)17-18-5-2-1-3-6-18/h1-11,16,19H,12-15,17H2,(H,24,26)
InChIKeyDCKXSDRKVDYEFH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.99
Rot. Bonds5

About N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide

N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 112985405) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide
PubChem CID112985405
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)cc1)c1ccco1
InChIInChI=1S/C23H24N2O2/c26-23(22-7-4-16-27-22)24-20-8-10-21(11-9-20)25-14-12-19(13-15-25)17-18-5-2-1-3-6-18/h1-11,16,19H,12-15,17H2,(H,24,26)
InChIKeyDCKXSDRKVDYEFH-UHFFFAOYSA-N
XLogP4.99
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
CID 112985401
N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
CID 7032662
N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4042183
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26243989
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
N-[4-(4-benzylpiperidin-1-yl)-3-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 42762477
N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 42757286
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
2,5-dimethylhexa-1,5-diene;methanamine;N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide
CID 142931774
N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 26007431
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109264116

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide (CID 112985405) is N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)cc1)c1ccco1.
What is the InChIKey of N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is DCKXSDRKVDYEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(22-7-4-16-27-22)24-20-8-10-21(11-9-20)25-14-12-19(13-15-25)17-18-5-2-1-3-6-18/h1-11,16,19H,12-15,17H2,(H,24,26).
What are the key properties of N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide?
N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 112985405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).