(1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone

C21H26N2O2 — CID 134073257

IUPAC(1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone
SMILESCCOC1CCC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21
InChIInChI=1S/C21H26N2O2/c1-2-25-19-9-10-21(17-7-4-3-6-16(17)19)11-14-23(15-12-21)20(24)18-8-5-13-22-18/h3-8,13,19,22H,2,9-12,14-15H2,1H3
InChIKeyFFCFIFKDQPYCRM-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.06
Rot. Bonds3

About (1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone

(1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone (PubChem CID 134073257) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone
PubChem CID134073257
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone
SMILESCCOC1CCC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21
InChIInChI=1S/C21H26N2O2/c1-2-25-19-9-10-21(17-7-4-3-6-16(17)19)11-14-23(15-12-21)20(24)18-8-5-13-22-18/h3-8,13,19,22H,2,9-12,14-15H2,1H3
InChIKeyFFCFIFKDQPYCRM-UHFFFAOYSA-N
XLogP4.06
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone 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 (1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone (CID 134073257) is (1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone is CCOC1CCC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21.
What is the InChIKey of (1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is FFCFIFKDQPYCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-25-19-9-10-21(17-7-4-3-6-16(17)19)11-14-23(15-12-21)20(24)18-8-5-13-22-18/h3-8,13,19,22H,2,9-12,14-15H2,1H3.
What are the key properties of (1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone?
(1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 134073257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).