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

C23H26N4O2 — CID 4877532

IUPAC3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCc3ccccc32)C(=O)N1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-21-23(12-6-8-18-7-4-5-11-20(18)23)24-22(29)27(21)17-25-13-15-26(16-14-25)19-9-2-1-3-10-19/h1-5,7,9-11H,6,8,12-17H2,(H,24,29)
InChIKeyMZHYEATVLSACLE-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.55
Rot. Bonds3

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

3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 4877532) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID4877532
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCc3ccccc32)C(=O)N1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-21-23(12-6-8-18-7-4-5-11-20(18)23)24-22(29)27(21)17-25-13-15-26(16-14-25)19-9-2-1-3-10-19/h1-5,7,9-11H,6,8,12-17H2,(H,24,29)
InChIKeyMZHYEATVLSACLE-UHFFFAOYSA-N
XLogP2.55
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
(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
3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 18142631
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
(4S)-3'-[(4-chlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240509
(4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 94184393
(4R)-3'-(2-phenoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666003
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
(4R)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706127
(4S)-3'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 8940626
(4S)-3'-[(2-fluorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705970
3'-(2-methylsulfonylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 56797064

Frequently Asked Questions

What is the IUPAC name of 3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 4877532) is 3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCCc3ccccc32)C(=O)N1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is MZHYEATVLSACLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-21-23(12-6-8-18-7-4-5-11-20(18)23)24-22(29)27(21)17-25-13-15-26(16-14-25)19-9-2-1-3-10-19/h1-5,7,9-11H,6,8,12-17H2,(H,24,29).
What are the key properties of 3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 390.49 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 4877532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).