N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide

C21H27N3O3 — CID 55389157

IUPACN-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)CCCNC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C21H27N3O3/c1-16-10-13-24(14-11-16)18-8-6-17(7-9-18)23-20(25)5-2-12-22-21(26)19-4-3-15-27-19/h3-4,6-9,15-16H,2,5,10-14H2,1H3,(H,22,26)(H,23,25)
InChIKeyQCOYIPWJOAZMGV-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.66
Rot. Bonds7

About N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide

N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 55389157) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide
PubChem CID55389157
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)CCCNC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C21H27N3O3/c1-16-10-13-24(14-11-16)18-8-6-17(7-9-18)23-20(25)5-2-12-22-21(26)19-4-3-15-27-19/h3-4,6-9,15-16H,2,5,10-14H2,1H3,(H,22,26)(H,23,25)
InChIKeyQCOYIPWJOAZMGV-UHFFFAOYSA-N
XLogP3.66
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylanilino]-4-oxobutyl]furan-2-carboxamide
CID 29443018
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]furan-2-carboxamide
CID 113062422
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide
CID 9033716
N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide
CID 30267377
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
CID 108986246
N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide
CID 27838033
N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 112985405
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102603994
4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide
CID 56557543

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide (CID 55389157) is N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide is CC1CCN(c2ccc(NC(=O)CCCNC(=O)c3ccco3)cc2)CC1.
What is the InChIKey of N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is QCOYIPWJOAZMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-10-13-24(14-11-16)18-8-6-17(7-9-18)23-20(25)5-2-12-22-21(26)19-4-3-15-27-19/h3-4,6-9,15-16H,2,5,10-14H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 55389157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).