N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide

C23H24N4O3 — CID 35668689

IUPACN-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)N2CCN(c3ccccc3)CC2)c1)c1ccco1
InChIInChI=1S/C23H24N4O3/c28-22(21-10-5-15-30-21)25-19-7-4-6-18(16-19)17-24-23(29)27-13-11-26(12-14-27)20-8-2-1-3-9-20/h1-10,15-16H,11-14,17H2,(H,24,29)(H,25,28)
InChIKeyRBGISRPYPSKDPN-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.56
Rot. Bonds5

About N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide

N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 35668689) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
PubChem CID35668689
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)N2CCN(c3ccccc3)CC2)c1)c1ccco1
InChIInChI=1S/C23H24N4O3/c28-22(21-10-5-15-30-21)25-19-7-4-6-18(16-19)17-24-23(29)27-13-11-26(12-14-27)20-8-2-1-3-9-20/h1-10,15-16H,11-14,17H2,(H,24,29)(H,25,28)
InChIKeyRBGISRPYPSKDPN-UHFFFAOYSA-N
XLogP3.56
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide
CID 46407153
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
N-[3-[[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111148340
N-[3-[[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111205767
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55613801
N-[3-[[[4-(3-oxopiperazin-1-yl)phenyl]methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 38314914
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
N-[3-[[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111153316
N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 78871658
N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 100700674
N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 51118836
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide (CID 35668689) is N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide is O=C(Nc1cccc(CNC(=O)N2CCN(c3ccccc3)CC2)c1)c1ccco1.
What is the InChIKey of N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is RBGISRPYPSKDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-22(21-10-5-15-30-21)25-19-7-4-6-18(16-19)17-24-23(29)27-13-11-26(12-14-27)20-8-2-1-3-9-20/h1-10,15-16H,11-14,17H2,(H,24,29)(H,25,28).
What are the key properties of N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide?
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 35668689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).