N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide

C20H25N3O4 — CID 121495496

IUPACN-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2cccc(C(=O)NC3CCNCC3)c2)o1
InChIInChI=1S/C20H25N3O4/c1-26-12-11-22-20(25)18-6-5-17(27-18)14-3-2-4-15(13-14)19(24)23-16-7-9-21-10-8-16/h2-6,13,16,21H,7-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyHRDGKBWFGGGASU-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.80
Rot. Bonds7

About N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide

N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 121495496) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID121495496
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2cccc(C(=O)NC3CCNCC3)c2)o1
InChIInChI=1S/C20H25N3O4/c1-26-12-11-22-20(25)18-6-5-17(27-18)14-3-2-4-15(13-14)19(24)23-16-7-9-21-10-8-16/h2-6,13,16,21H,7-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyHRDGKBWFGGGASU-UHFFFAOYSA-N
XLogP1.80
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide
CID 119388707
N-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-2-carboxamide
CID 56861779
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide
CID 119390450
5-ethyl-N-piperidin-4-ylfuran-2-carboxamide
CID 78981214
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
N-(2-methoxyethyl)-5-piperidin-4-ylnaphthalene-2-carboxamide
CID 171396920
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
5-(methoxymethyl)-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119450206
N-piperidin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride
CID 176730943
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 18182100

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide (CID 121495496) is N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide is COCCNC(=O)c1ccc(-c2cccc(C(=O)NC3CCNCC3)c2)o1.
What is the InChIKey of N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is HRDGKBWFGGGASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-26-12-11-22-20(25)18-6-5-17(27-18)14-3-2-4-15(13-14)19(24)23-16-7-9-21-10-8-16/h2-6,13,16,21H,7-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide?
N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[3-(piperidin-4-ylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 121495496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).