N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide

C26H30N4O4 — CID 42755875

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCCCNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C26H30N4O4/c1-3-12-27-25(31)20-18-19(28-26(32)24-9-6-17-34-24)10-11-21(20)29-13-15-30(16-14-29)22-7-4-5-8-23(22)33-2/h4-11,17-18H,3,12-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyVIWJGPJRJAOUHC-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.01
Rot. Bonds8

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 42755875) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID42755875
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCCCNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C26H30N4O4/c1-3-12-27-25(31)20-18-19(28-26(32)24-9-6-17-34-24)10-11-21(20)29-13-15-30(16-14-29)22-7-4-5-8-23(22)33-2/h4-11,17-18H,3,12-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyVIWJGPJRJAOUHC-UHFFFAOYSA-N
XLogP4.01
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-bromobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide
CID 42755898
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylsulfanylphenyl)carbamoylamino]-N-propylbenzamide
CID 42660869
2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 42755807
5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide
CID 4007114
5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5138387
5-[(2-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 42755758
5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide
CID 3541895
N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4042183
5-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5138511
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-pentylbenzoyl)amino]benzamide
CID 42756012
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzamide
CID 3294250
N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 42757063

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide (CID 42755875) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide is CCCNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is VIWJGPJRJAOUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-3-12-27-25(31)20-18-19(28-26(32)24-9-6-17-34-24)10-11-21(20)29-13-15-30(16-14-29)22-7-4-5-8-23(22)33-2/h4-11,17-18H,3,12-16H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 42755875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).