(4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C22H28N4O4 — CID 8008585

IUPAC(4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C([C@H]1CCCO1)N1CCN(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)CC1
InChIInChI=1S/C22H28N4O4/c27-19(18-8-4-14-30-18)25-12-10-24(11-13-25)15-26-20(28)22(23-21(26)29)9-3-6-16-5-1-2-7-17(16)22/h1-2,5,7,18H,3-4,6,8-15H2,(H,23,29)/t18-,22-/m1/s1
InChIKeyBGUWTFFLOCUFLN-XMSQKQJNSA-N
MW412.49 g/mol
LogP1.05
Rot. Bonds3

About (4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

(4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 8008585) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is (4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID8008585
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name(4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C([C@H]1CCCO1)N1CCN(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)CC1
InChIInChI=1S/C22H28N4O4/c27-19(18-8-4-14-30-18)25-12-10-24(11-13-25)15-26-20(28)22(23-21(26)29)9-3-6-16-5-1-2-7-17(16)22/h1-2,5,7,18H,3-4,6,8-15H2,(H,23,29)/t18-,22-/m1/s1
InChIKeyBGUWTFFLOCUFLN-XMSQKQJNSA-N
XLogP1.05
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione with MolForge

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Related Compounds

3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4877532
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92509614
[(2R)-oxolan-2-yl]-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]methanone
CID 98946929
(5S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 41138995
(3S)-3'-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 26624665
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
(3S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702948
3'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810139
(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2464913
(4R)-3'-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240524

Frequently Asked Questions

What is the IUPAC name of (4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 8008585) is (4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C([C@H]1CCCO1)N1CCN(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)CC1.
What is the InChIKey of (4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is BGUWTFFLOCUFLN-XMSQKQJNSA-N. The full InChI is InChI=1S/C22H28N4O4/c27-19(18-8-4-14-30-18)25-12-10-24(11-13-25)15-26-20(28)22(23-21(26)29)9-3-6-16-5-1-2-7-17(16)22/h1-2,5,7,18H,3-4,6,8-15H2,(H,23,29)/t18-,22-/m1/s1.
What are the key properties of (4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
(4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 412.49 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 8008585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).