N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide

C30H34N4O4 — CID 42673221

IUPACN-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C30H34N4O4/c1-32(21-22-8-3-2-4-9-22)30(37)25-20-24(31-28(35)27-12-7-19-38-27)13-14-26(25)33-15-17-34(18-16-33)29(36)23-10-5-6-11-23/h2-4,7-9,12-14,19-20,23H,5-6,10-11,15-18,21H2,1H3,(H,31,35)
InChIKeyOEMCWOGMHVQXRF-UHFFFAOYSA-N
MW514.63 g/mol
LogP4.64
Rot. Bonds7

About N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide

N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide (PubChem CID 42673221) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
PubChem CID42673221
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC NameN-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C30H34N4O4/c1-32(21-22-8-3-2-4-9-22)30(37)25-20-24(31-28(35)27-12-7-19-38-27)13-14-26(25)33-15-17-34(18-16-33)29(36)23-10-5-6-11-23/h2-4,7-9,12-14,19-20,23H,5-6,10-11,15-18,21H2,1H3,(H,31,35)
InChIKeyOEMCWOGMHVQXRF-UHFFFAOYSA-N
XLogP4.64
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[benzyl(methyl)carbamoyl]-4-(furan-2-carbonylamino)phenyl]-N-cyclohexylpiperazine-1-carboxamide
CID 42673367
N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 42673232
4-[2-[benzyl(methyl)carbamoyl]-4-(cyclopentanecarbonylamino)phenyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 42673345
5-benzamido-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-N,N-diethylbenzamide
CID 42675297
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42671906
5-benzamido-N-benzyl-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-methylbenzamide
CID 42673473
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678369
N-[3-[methyl(phenyl)carbamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide
CID 6463083
4-[2-(diethylcarbamoyl)-4-(furan-2-carbonylamino)phenyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 42675448
5-benzamido-N-benzyl-N-methyl-2-[4-[(2R)-2-phenylbutanoyl]-1,4-diazepan-1-yl]benzamide
CID 98337892
4-[2-[benzyl(methyl)carbamoyl]-4-(thiophene-2-carbonylamino)phenyl]-N-tert-butylpiperazine-1-carboxamide
CID 42673301
5-benzamido-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N,N-diethylbenzamide
CID 42675254

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide (CID 42673221) is N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is OEMCWOGMHVQXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-32(21-22-8-3-2-4-9-22)30(37)25-20-24(31-28(35)27-12-7-19-38-27)13-14-26(25)33-15-17-34(18-16-33)29(36)23-10-5-6-11-23/h2-4,7-9,12-14,19-20,23H,5-6,10-11,15-18,21H2,1H3,(H,31,35).
What are the key properties of N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 514.63 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42673221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).