N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide

C24H33N3O4 — CID 20925775

IUPACN-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide
SMILESCCOCCCN(C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CC2)CC1
InChIInChI=1S/C24H33N3O4/c1-3-30-16-6-13-26(2)18-11-14-27(15-12-18)24(29)22-21(25-23(28)17-9-10-17)19-7-4-5-8-20(19)31-22/h4-5,7-8,17-18H,3,6,9-16H2,1-2H3,(H,25,28)
InChIKeyWXLCRRXJNOBLBW-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.74
Rot. Bonds9

About N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide

N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide (PubChem CID 20925775) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide
PubChem CID20925775
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC NameN-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide
SMILESCCOCCCN(C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CC2)CC1
InChIInChI=1S/C24H33N3O4/c1-3-30-16-6-13-26(2)18-11-14-27(15-12-18)24(29)22-21(25-23(28)17-9-10-17)19-7-4-5-8-20(19)31-22/h4-5,7-8,17-18H,3,6,9-16H2,1-2H3,(H,25,28)
InChIKeyWXLCRRXJNOBLBW-UHFFFAOYSA-N
XLogP3.74
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
CID 20925897
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide
CID 20925789
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide
CID 20925820
N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide
CID 20925750
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24501964
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
CID 20925892
2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]propanamide
CID 20926300
2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925927
2-(4-methylphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511152
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide
CID 95339435
[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646767
2-ethoxy-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926220

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide (CID 20925775) is N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide is CCOCCCN(C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CC2)CC1.
What is the InChIKey of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide?
The InChIKey is WXLCRRXJNOBLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-3-30-16-6-13-26(2)18-11-14-27(15-12-18)24(29)22-21(25-23(28)17-9-10-17)19-7-4-5-8-20(19)31-22/h4-5,7-8,17-18H,3,6,9-16H2,1-2H3,(H,25,28).
What are the key properties of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide?
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 20925775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).