N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide

C27H30N4O4 — CID 126498755

IUPACN-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
SMILESCc1ccccc1N1CCN(c2ccc(C(=O)N3CCOCC3)cc2NC(=O)c2ccco2)CC1
InChIInChI=1S/C27H30N4O4/c1-20-5-2-3-6-23(20)29-10-12-30(13-11-29)24-9-8-21(27(33)31-14-17-34-18-15-31)19-22(24)28-26(32)25-7-4-16-35-25/h2-9,16,19H,10-15,17-18H2,1H3,(H,28,32)
InChIKeyZHKSBJAIGQNHLP-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.64
Rot. Bonds5

About N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide

N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 126498755) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
PubChem CID126498755
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
SMILESCc1ccccc1N1CCN(c2ccc(C(=O)N3CCOCC3)cc2NC(=O)c2ccco2)CC1
InChIInChI=1S/C27H30N4O4/c1-20-5-2-3-6-23(20)29-10-12-30(13-11-29)24-9-8-21(27(33)31-14-17-34-18-15-31)19-22(24)28-26(32)25-7-4-16-35-25/h2-9,16,19H,10-15,17-18H2,1H3,(H,28,32)
InChIKeyZHKSBJAIGQNHLP-UHFFFAOYSA-N
XLogP3.64
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(2-oxa-7-azaspiro[3.4]octane-7-carbonyl)phenyl]furan-2-carboxamide
CID 71234531
2-[3-(furan-2-carbonylamino)-4-[4-(2-methylphenyl)piperazin-1-yl]benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 71234204
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 9154613
N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 148723104
N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 71233971
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(prop-2-enylcarbamoylamino)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 71488103
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 2237334
N-(5-fluoro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 113092678
N-[5-[3-(2-hydroxy-3-methyl-4,5-dioxoimidazolidin-1-yl)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 126498858
N-[5-[3-(cyclohexylmethylcarbamoylamino)propylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 71234414
N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 24653710

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide (CID 126498755) is N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide is Cc1ccccc1N1CCN(c2ccc(C(=O)N3CCOCC3)cc2NC(=O)c2ccco2)CC1.
What is the InChIKey of N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is ZHKSBJAIGQNHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-20-5-2-3-6-23(20)29-10-12-30(13-11-29)24-9-8-21(27(33)31-14-17-34-18-15-31)19-22(24)28-26(32)25-7-4-16-35-25/h2-9,16,19H,10-15,17-18H2,1H3,(H,28,32).
What are the key properties of N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide?
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 126498755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).