2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone

C24H29N3O2 — CID 131679144

IUPAC2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC12CCCN(C(=O)c1ccc3ccccc3c1)C2)N1CCCC1
InChIInChI=1S/C24H29N3O2/c28-22(25-12-3-4-13-25)17-27-15-11-24(27)10-5-14-26(18-24)23(29)21-9-8-19-6-1-2-7-20(19)16-21/h1-2,6-9,16H,3-5,10-15,17-18H2
InChIKeyBOFFBAKMAYTKSU-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.14
Rot. Bonds3

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

2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 131679144) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID131679144
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC12CCCN(C(=O)c1ccc3ccccc3c1)C2)N1CCCC1
InChIInChI=1S/C24H29N3O2/c28-22(25-12-3-4-13-25)17-27-15-11-24(27)10-5-14-26(18-24)23(29)21-9-8-19-6-1-2-7-20(19)16-21/h1-2,6-9,16H,3-5,10-15,17-18H2
InChIKeyBOFFBAKMAYTKSU-UHFFFAOYSA-N
XLogP3.14
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
CID 131678955
2-[8-(5-chloro-2-fluorobenzoyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155868357
2-[8-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
CID 131678932
8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 5107632
1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 56736237
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione
CID 122383489
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
(3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 124819663
naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 10573019
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310
[1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 131678690

Frequently Asked Questions

What is the IUPAC name of 2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone (CID 131679144) is 2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCC12CCCN(C(=O)c1ccc3ccccc3c1)C2)N1CCCC1.
What is the InChIKey of 2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is BOFFBAKMAYTKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-22(25-12-3-4-13-25)17-27-15-11-24(27)10-5-14-26(18-24)23(29)21-9-8-19-6-1-2-7-20(19)16-21/h1-2,6-9,16H,3-5,10-15,17-18H2.
What are the key properties of 2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone?
2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 391.52 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(naphthalene-2-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 131679144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).