4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide

C28H36N4O4 — CID 78321610

IUPAC4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCN(CCO)CC2)ccc1C(=O)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C28H36N4O4/c1-21-18-22(19-29-27(35)32-14-12-30(13-15-32)16-17-33)6-7-24(21)26(34)31-10-8-28(9-11-31)25-5-3-2-4-23(25)20-36-28/h2-7,18,33H,8-17,19-20H2,1H3,(H,29,35)
InChIKeyGEHCHIZKAHYCSQ-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.48
Rot. Bonds5

About 4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide

4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 78321610) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID78321610
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC Name4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCN(CCO)CC2)ccc1C(=O)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C28H36N4O4/c1-21-18-22(19-29-27(35)32-14-12-30(13-15-32)16-17-33)6-7-24(21)26(34)31-10-8-28(9-11-31)25-5-3-2-4-23(25)20-36-28/h2-7,18,33H,8-17,19-20H2,1H3,(H,29,35)
InChIKeyGEHCHIZKAHYCSQ-UHFFFAOYSA-N
XLogP2.48
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-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 4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide (CID 78321610) is 4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide is Cc1cc(CNC(=O)N2CCN(CCO)CC2)ccc1C(=O)N1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of 4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is GEHCHIZKAHYCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-21-18-22(19-29-27(35)32-14-12-30(13-15-32)16-17-33)6-7-24(21)26(34)31-10-8-28(9-11-31)25-5-3-2-4-23(25)20-36-28/h2-7,18,33H,8-17,19-20H2,1H3,(H,29,35).
What are the key properties of 4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide?
4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-[[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 78321610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).