2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone

C25H31N3O3 — CID 131678955

IUPAC2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC12CCCN(C(=O)COc1ccc3ccccc3c1)C2)N1CCCC1
InChIInChI=1S/C25H31N3O3/c29-23(26-12-3-4-13-26)17-28-15-11-25(28)10-5-14-27(19-25)24(30)18-31-22-9-8-20-6-1-2-7-21(20)16-22/h1-2,6-9,16H,3-5,10-15,17-19H2
InChIKeyVUGDMYBWJWJEJH-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.91
Rot. Bonds5

About 2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone

2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 131678955) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID131678955
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC12CCCN(C(=O)COc1ccc3ccccc3c1)C2)N1CCCC1
InChIInChI=1S/C25H31N3O3/c29-23(26-12-3-4-13-26)17-28-15-11-25(28)10-5-14-27(19-25)24(30)18-31-22-9-8-20-6-1-2-7-21(20)16-22/h1-2,6-9,16H,3-5,10-15,17-19H2
InChIKeyVUGDMYBWJWJEJH-UHFFFAOYSA-N
XLogP2.91
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
CID 131679144
1-(azepan-1-yl)-2-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-ium-1-yl]ethanone
CID 9209259
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-yloxyethanone
CID 90510476
1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone
CID 167777037
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone
CID 110487998
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458
2-naphthalen-2-yloxy-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95749780
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 21008002
N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
CID 34222283

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone (CID 131678955) is 2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCC12CCCN(C(=O)COc1ccc3ccccc3c1)C2)N1CCCC1.
What is the InChIKey of 2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is VUGDMYBWJWJEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c29-23(26-12-3-4-13-26)17-28-15-11-25(28)10-5-14-27(19-25)24(30)18-31-22-9-8-20-6-1-2-7-21(20)16-22/h1-2,6-9,16H,3-5,10-15,17-19H2.
What are the key properties of 2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone?
2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 421.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 131678955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).