tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate

C23H31N3O4 — CID 166116816

IUPACtert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](c2ccc(NC3CCC(=O)NC3=O)cc2)CC12CC2
InChIInChI=1S/C23H31N3O4/c1-22(2,3)30-21(29)26-13-10-16(14-23(26)11-12-23)15-4-6-17(7-5-15)24-18-8-9-19(27)25-20(18)28/h4-7,16,18,24H,8-14H2,1-3H3,(H,25,27,28)/t16-,18?/m1/s1
InChIKeyRHJWKIDNQNFCRP-PYUWXLGESA-N
MW413.52 g/mol
LogP3.55
Rot. Bonds3

About tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate

tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate (PubChem CID 166116816) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate
PubChem CID166116816
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Nametert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](c2ccc(NC3CCC(=O)NC3=O)cc2)CC12CC2
InChIInChI=1S/C23H31N3O4/c1-22(2,3)30-21(29)26-13-10-16(14-23(26)11-12-23)15-4-6-17(7-5-15)24-18-8-9-19(27)25-20(18)28/h4-7,16,18,24H,8-14H2,1-3H3,(H,25,27,28)/t16-,18?/m1/s1
InChIKeyRHJWKIDNQNFCRP-PYUWXLGESA-N
XLogP3.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidine-1-carboxylate
CID 172591640
O-tert-butyl 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carbothioate
CID 177363967
tert-butyl 1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidine-4-carboxylate
CID 172591957
tert-butyl 3-[[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]amino]pyrrolidine-1-carboxylate
CID 164720239
tert-butyl 4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidine-1-carboxylate
CID 156505960
tert-butyl 4-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate
CID 162726270
3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166117135
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146523656
tert-butyl 4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 167463168
2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazine-1-carboxylate
CID 146573080

Frequently Asked Questions

What is the IUPAC name of tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate?
The IUPAC name of tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate (CID 166116816) is tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(NC3CCC(=O)NC3=O)cc2)CC12CC2.
What is the InChIKey of tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate?
The InChIKey is RHJWKIDNQNFCRP-PYUWXLGESA-N. The full InChI is InChI=1S/C23H31N3O4/c1-22(2,3)30-21(29)26-13-10-16(14-23(26)11-12-23)15-4-6-17(7-5-15)24-18-8-9-19(27)25-20(18)28/h4-7,16,18,24H,8-14H2,1-3H3,(H,25,27,28)/t16-,18?/m1/s1.
What are the key properties of tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate?
tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate has a molecular weight of 413.52 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 166116816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).