1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea

C20H26N4O3 — CID 38951485

IUPAC1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
SMILESCN(C)c1ccc(CNC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-23(2)18-5-3-15(4-6-18)13-21-20(26)22-17-7-10-24(11-8-17)19(25)16-9-12-27-14-16/h3-6,9,12,14,17H,7-8,10-11,13H2,1-2H3,(H2,21,22,26)
InChIKeyMWRFXYSFYVSPCE-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.45
Rot. Bonds5

About 1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea

1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea (PubChem CID 38951485) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
PubChem CID38951485
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
SMILESCN(C)c1ccc(CNC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-23(2)18-5-3-15(4-6-18)13-21-20(26)22-17-7-10-24(11-8-17)19(25)16-9-12-27-14-16/h3-6,9,12,14,17H,7-8,10-11,13H2,1-2H3,(H2,21,22,26)
InChIKeyMWRFXYSFYVSPCE-UHFFFAOYSA-N
XLogP2.45
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate
CID 38949283
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]furan-2-carboxamide
CID 110821547
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
2-(1-benzoylpiperidin-4-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 46295005
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
CID 127233403
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 38216371
3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
CID 108567076
1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
CID 78874680
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080410
1-cyclohexyl-3-(furan-3-ylmethyl)urea
CID 47236948
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea (CID 38951485) is 1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea is CN(C)c1ccc(CNC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea?
The InChIKey is MWRFXYSFYVSPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23(2)18-5-3-15(4-6-18)13-21-20(26)22-17-7-10-24(11-8-17)19(25)16-9-12-27-14-16/h3-6,9,12,14,17H,7-8,10-11,13H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea?
1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea has a molecular weight of 370.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]methyl]-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 38951485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).