N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

C27H33N3O3 — CID 11619262

IUPACN-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)C1CCC2(CC1)OC(=O)c1cc(-c3ccccn3)ccc12
InChIInChI=1S/C27H33N3O3/c1-29(17-18-30-15-5-2-6-16-30)25(31)20-10-12-27(13-11-20)23-9-8-21(19-22(23)26(32)33-27)24-7-3-4-14-28-24/h3-4,7-9,14,19-20H,2,5-6,10-13,15-18H2,1H3
InChIKeyCMQARAAORSOUKX-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.25
Rot. Bonds5

About N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (PubChem CID 11619262) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
PubChem CID11619262
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)C1CCC2(CC1)OC(=O)c1cc(-c3ccccn3)ccc12
InChIInChI=1S/C27H33N3O3/c1-29(17-18-30-15-5-2-6-16-30)25(31)20-10-12-27(13-11-20)23-9-8-21(19-22(23)26(32)33-27)24-7-3-4-14-28-24/h3-4,7-9,14,19-20H,2,5-6,10-13,15-18H2,1H3
InChIKeyCMQARAAORSOUKX-UHFFFAOYSA-N
XLogP4.25
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The IUPAC name of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (CID 11619262) is N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is CN(CCN1CCCCC1)C(=O)C1CCC2(CC1)OC(=O)c1cc(-c3ccccn3)ccc12.
What is the InChIKey of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The InChIKey is CMQARAAORSOUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-29(17-18-30-15-5-2-6-16-30)25(31)20-10-12-27(13-11-20)23-9-8-21(19-22(23)26(32)33-27)24-7-3-4-14-28-24/h3-4,7-9,14,19-20H,2,5-6,10-13,15-18H2,1H3.
What are the key properties of N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-N-(2-piperidin-1-ylethyl)-5-pyridin-2-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 11619262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).