N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide

C23H23N3O3 — CID 26243989

IUPACN-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H23N3O3/c27-22(24-19-10-12-20(13-11-19)26-14-2-1-3-15-26)17-6-8-18(9-7-17)25-23(28)21-5-4-16-29-21/h4-13,16H,1-3,14-15H2,(H,24,27)(H,25,28)
InChIKeyISRNZERVSZPDQT-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.77
Rot. Bonds5

About N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide

N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 26243989) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID26243989
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H23N3O3/c27-22(24-19-10-12-20(13-11-19)26-14-2-1-3-15-26)17-6-8-18(9-7-17)25-23(28)21-5-4-16-29-21/h4-13,16H,1-3,14-15H2,(H,24,27)(H,25,28)
InChIKeyISRNZERVSZPDQT-UHFFFAOYSA-N
XLogP4.77
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
2,5-dimethylhexa-1,5-diene;methanamine;N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide
CID 142931774
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109046634
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9371428
N-[4-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55540208
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
N-[3-methyl-1-oxo-1-(4-piperidin-1-ylanilino)butan-2-yl]furan-2-carboxamide
CID 42908988
N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
CID 7032662
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 26243989) is N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ISRNZERVSZPDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(24-19-10-12-20(13-11-19)26-14-2-1-3-15-26)17-6-8-18(9-7-17)25-23(28)21-5-4-16-29-21/h4-13,16H,1-3,14-15H2,(H,24,27)(H,25,28).
What are the key properties of N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 26243989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).