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

C27H39N3O4 — CID 20925897

IUPACN-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
SMILESCCOCCCN(C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C27H39N3O4/c1-3-33-19-9-16-29(2)21-14-17-30(18-15-21)27(32)25-24(22-12-7-8-13-23(22)34-25)28-26(31)20-10-5-4-6-11-20/h7-8,12-13,20-21H,3-6,9-11,14-19H2,1-2H3,(H,28,31)
InChIKeyVJPCPSYMBLRDMQ-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.91
Rot. Bonds9

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

N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide (PubChem CID 20925897) has the molecular formula C27H39N3O4 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
PubChem CID20925897
Molecular FormulaC27H39N3O4
Molecular Weight469.63 g/mol
Exact Mass469.29
IUPAC NameN-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
SMILESCCOCCCN(C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C27H39N3O4/c1-3-33-19-9-16-29(2)21-14-17-30(18-15-21)27(32)25-24(22-12-7-8-13-23(22)34-25)28-26(31)20-10-5-4-6-11-20/h7-8,12-13,20-21H,3-6,9-11,14-19H2,1-2H3,(H,28,31)
InChIKeyVJPCPSYMBLRDMQ-UHFFFAOYSA-N
XLogP4.91
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.91
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]cyclopropanecarboxamide
CID 20925775
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-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
CID 20925892
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24501964
2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925967
2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]propanamide
CID 20926300
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide
CID 95339435
2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925927
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267
2-(4-methylphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511152

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide (CID 20925897) is N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide is CCOCCCN(C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide?
The InChIKey is VJPCPSYMBLRDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O4/c1-3-33-19-9-16-29(2)21-14-17-30(18-15-21)27(32)25-24(22-12-7-8-13-23(22)34-25)28-26(31)20-10-5-4-6-11-20/h7-8,12-13,20-21H,3-6,9-11,14-19H2,1-2H3,(H,28,31).
What are the key properties of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide?
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide has a molecular weight of 469.63 g/mol, XLogP of 4.91, 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]cyclohexanecarboxamide is sourced from PubChem (CID 20925897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).