N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide

C24H25N3O3 — CID 1320461

IUPACN-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCCCC2)cc1
InChIInChI=1S/C24H25N3O3/c1-17-7-9-18(10-8-17)25-23(28)20-16-19(26-24(29)22-6-5-15-30-22)11-12-21(20)27-13-3-2-4-14-27/h5-12,15-16H,2-4,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyHUURWOFXPVAULD-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.08
Rot. Bonds5

About N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide

N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide (PubChem CID 1320461) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
PubChem CID1320461
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCCCC2)cc1
InChIInChI=1S/C24H25N3O3/c1-17-7-9-18(10-8-17)25-23(28)20-16-19(26-24(29)22-6-5-15-30-22)11-12-21(20)27-13-3-2-4-14-27/h5-12,15-16H,2-4,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyHUURWOFXPVAULD-UHFFFAOYSA-N
XLogP5.08
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.08
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-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 42757063
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678369
4-[2-(diethylcarbamoyl)-4-(furan-2-carbonylamino)phenyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 42675448
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42671906
N-tert-butyl-4-[4-(furan-2-carbonylamino)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
CID 42678931
N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide
CID 886010
2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid
CID 2804715
N-[4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678536
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26243989
N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55457161
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
CID 46267979
N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065596

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide (CID 1320461) is N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCCCC2)cc1.
What is the InChIKey of N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide?
The InChIKey is HUURWOFXPVAULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-7-9-18(10-8-17)25-23(28)20-16-19(26-24(29)22-6-5-15-30-22)11-12-21(20)27-13-3-2-4-14-27/h5-12,15-16H,2-4,13-14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide?
N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide is sourced from PubChem (CID 1320461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).