tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate

C21H29FN4O5 — CID 156798545

IUPACtert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate
SMILESCC(C)(C)OC(=O)CC1(O)CCN(c2ncc(N[C@@H]3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C21H29FN4O5/c1-20(2,3)31-17(28)11-21(30)6-8-26(9-7-21)18-14(22)10-13(12-23-18)24-15-4-5-16(27)25-19(15)29/h10,12,15,24,30H,4-9,11H2,1-3H3,(H,25,27,29)/t15-/m1/s1
InChIKeyJZMTYVIKQKDIHU-OAHLLOKOSA-N
MW436.48 g/mol
LogP1.50
Rot. Bonds5

About tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate

tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate (PubChem CID 156798545) has the molecular formula C21H29FN4O5 and a molecular weight of 436.48 g/mol. Its IUPAC name is tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate
PubChem CID156798545
Molecular FormulaC21H29FN4O5
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC Nametert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate
SMILESCC(C)(C)OC(=O)CC1(O)CCN(c2ncc(N[C@@H]3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C21H29FN4O5/c1-20(2,3)31-17(28)11-21(30)6-8-26(9-7-21)18-14(22)10-13(12-23-18)24-15-4-5-16(27)25-19(15)29/h10,12,15,24,30H,4-9,11H2,1-3H3,(H,25,27,29)/t15-/m1/s1
InChIKeyJZMTYVIKQKDIHU-OAHLLOKOSA-N
XLogP1.50
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid
CID 156505941
tert-butyl 2-[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetate
CID 156506261
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperazine-1-carboxylate
CID 166117069
2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid
CID 166472355
tert-butyl 4-[5-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]piperidine-1-carboxylate
CID 174216398
butyl 2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetate
CID 166900506
tert-butyl 2-[[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 177301210
tert-butyl 7-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 167463249
3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166472103
ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166472102
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146523656
tert-butyl 4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperidine-1-carboxylate;ethane
CID 170749705

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate?
The IUPAC name of tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate (CID 156798545) is tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate is CC(C)(C)OC(=O)CC1(O)CCN(c2ncc(N[C@@H]3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate?
The InChIKey is JZMTYVIKQKDIHU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H29FN4O5/c1-20(2,3)31-17(28)11-21(30)6-8-26(9-7-21)18-14(22)10-13(12-23-18)24-15-4-5-16(27)25-19(15)29/h10,12,15,24,30H,4-9,11H2,1-3H3,(H,25,27,29)/t15-/m1/s1.
What are the key properties of tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate?
tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate has a molecular weight of 436.48 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetate is sourced from PubChem (CID 156798545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).