(4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C20H25N3O4 — CID 40882788

IUPAC(4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESC[C@@H]1C[C@H](C)CN(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)C1
InChIInChI=1S/C20H25N3O4/c1-13-9-14(2)11-22(10-13)17(24)12-23-18(25)20(21-19(23)26)7-8-27-16-6-4-3-5-15(16)20/h3-6,13-14H,7-12H2,1-2H3,(H,21,26)/t13-,14+,20-/m0/s1
InChIKeyCCLCPJNJUJOLCX-MNVSYLFESA-N
MW371.44 g/mol
LogP1.72
Rot. Bonds2

About (4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 40882788) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID40882788
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESC[C@@H]1C[C@H](C)CN(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)C1
InChIInChI=1S/C20H25N3O4/c1-13-9-14(2)11-22(10-13)17(24)12-23-18(25)20(21-19(23)26)7-8-27-16-6-4-3-5-15(16)20/h3-6,13-14H,7-12H2,1-2H3,(H,21,26)/t13-,14+,20-/m0/s1
InChIKeyCCLCPJNJUJOLCX-MNVSYLFESA-N
XLogP1.72
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.72
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'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 3527073
(4S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442760
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 4850648
(4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2445472
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2442723
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(5-methylhexan-2-yl)acetamide
CID 17435318
(4S)-3'-[2-(4-tert-butylphenyl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 51488858
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2442742
(4S)-3'-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2413694
(4S)-3'-[2-(4-ethylphenyl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 40630931

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 40882788) is (4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is C[C@@H]1C[C@H](C)CN(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)C1.
What is the InChIKey of (4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is CCLCPJNJUJOLCX-MNVSYLFESA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-9-14(2)11-22(10-13)17(24)12-23-18(25)20(21-19(23)26)7-8-27-16-6-4-3-5-15(16)20/h3-6,13-14H,7-12H2,1-2H3,(H,21,26)/t13-,14+,20-/m0/s1.
What are the key properties of (4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
(4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 371.44 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 40882788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).