tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate

C22H30FN3O5 — CID 166168460

IUPACtert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate
SMILESCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(NC2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C22H30FN3O5/c1-22(2,3)31-21(29)26-10-9-15(18(12-26)30-4)14-6-5-13(11-16(14)23)24-17-7-8-19(27)25-20(17)28/h5-6,11,15,17-18,24H,7-10,12H2,1-4H3,(H,25,27,28)/t15-,17?,18+/m1/s1
InChIKeyMTEYPKTVDNEJGB-IKJNGHJTSA-N
MW435.50 g/mol
LogP2.78
Rot. Bonds4

About tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate

tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate (PubChem CID 166168460) has the molecular formula C22H30FN3O5 and a molecular weight of 435.50 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate
PubChem CID166168460
Molecular FormulaC22H30FN3O5
Molecular Weight435.50 g/mol
Exact Mass435.22
IUPAC Nametert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate
SMILESCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(NC2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C22H30FN3O5/c1-22(2,3)31-21(29)26-10-9-15(18(12-26)30-4)14-6-5-13(11-16(14)23)24-17-7-8-19(27)25-20(17)28/h5-6,11,15,17-18,24H,7-10,12H2,1-4H3,(H,25,27,28)/t15-,17?,18+/m1/s1
InChIKeyMTEYPKTVDNEJGB-IKJNGHJTSA-N
XLogP2.78
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidine-1-carboxylate
CID 156505960
tert-butyl 4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperidine-1-carboxylate;ethane
CID 170749705
tert-butyl 4-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate
CID 162726270
tert-butyl 4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]ethyl]piperidine-1-carboxylate
CID 164720022
(3S)-3-[3-fluoro-4-[(3S,4S)-3-methoxypiperidin-4-yl]anilino]piperidine-2,6-dione
CID 166168100
tert-butyl 7-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 167463249
tert-butyl 4-[5-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]piperidine-1-carboxylate
CID 174216398
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperazine-1-carboxylate
CID 166117069
tert-butyl 4-[[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorobenzoyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177300622
tert-butyl 4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 167463168
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazine-1-carboxylate
CID 146573080
tert-butyl 4-[[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperazin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 172591958

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate (CID 166168460) is tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate is CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(NC2CCC(=O)NC2=O)cc1F.
What is the InChIKey of tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate?
The InChIKey is MTEYPKTVDNEJGB-IKJNGHJTSA-N. The full InChI is InChI=1S/C22H30FN3O5/c1-22(2,3)31-21(29)26-10-9-15(18(12-26)30-4)14-6-5-13(11-16(14)23)24-17-7-8-19(27)25-20(17)28/h5-6,11,15,17-18,24H,7-10,12H2,1-4H3,(H,25,27,28)/t15-,17?,18+/m1/s1.
What are the key properties of tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate?
tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate has a molecular weight of 435.50 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 166168460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).