N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C24H32N4O5 — CID 55427114

IUPACN-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CC1
InChIInChI=1S/C24H32N4O5/c1-32-15-6-10-25-22(29)18-27-11-13-28(14-12-27)24(31)20(17-19-7-3-2-4-8-19)26-23(30)21-9-5-16-33-21/h2-5,7-9,16,20H,6,10-15,17-18H2,1H3,(H,25,29)(H,26,30)
InChIKeyYWWUZAZFMGYFFF-UHFFFAOYSA-N
MW456.54 g/mol
LogP0.92
Rot. Bonds11

About N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 55427114) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID55427114
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC NameN-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CC1
InChIInChI=1S/C24H32N4O5/c1-32-15-6-10-25-22(29)18-27-11-13-28(14-12-27)24(31)20(17-19-7-3-2-4-8-19)26-23(30)21-9-5-16-33-21/h2-5,7-9,16,20H,6,10-15,17-18H2,1H3,(H,25,29)(H,26,30)
InChIKeyYWWUZAZFMGYFFF-UHFFFAOYSA-N
XLogP0.92
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 17433135
N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41138290
N-[1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55918145
N-[1-oxo-3-phenyl-1-(4-phenylpiperidin-1-yl)propan-2-yl]furan-2-carboxamide
CID 55550533
ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 78780464
N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46512979
N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46523666
N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 166257021
N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55428907
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46559911
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836348
2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
CID 119762028

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 55427114) is N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is COCCCNC(=O)CN1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is YWWUZAZFMGYFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-32-15-6-10-25-22(29)18-27-11-13-28(14-12-27)24(31)20(17-19-7-3-2-4-8-19)26-23(30)21-9-5-16-33-21/h2-5,7-9,16,20H,6,10-15,17-18H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 0.92, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55427114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).