tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate

C21H30N4O4 — CID 178015468

IUPACtert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNc2ccc(C3CCC(=O)NC3=O)nc2)CC1
InChIInChI=1S/C21H30N4O4/c1-21(2,3)29-20(28)25-10-8-14(9-11-25)12-22-15-4-6-17(23-13-15)16-5-7-18(26)24-19(16)27/h4,6,13-14,16,22H,5,7-12H2,1-3H3,(H,24,26,27)
InChIKeyPHBQCCHPRHWEOL-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.66
Rot. Bonds4

About tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 178015468) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate
PubChem CID178015468
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Nametert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNc2ccc(C3CCC(=O)NC3=O)nc2)CC1
InChIInChI=1S/C21H30N4O4/c1-21(2,3)29-20(28)25-10-8-14(9-11-25)12-22-15-4-6-17(23-13-15)16-5-7-18(26)24-19(16)27/h4,6,13-14,16,22H,5,7-12H2,1-3H3,(H,24,26,27)
InChIKeyPHBQCCHPRHWEOL-UHFFFAOYSA-N
XLogP2.66
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide
CID 170983752
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 166113298
tert-butyl 4-[(4-bromoanilino)methyl]piperidine-1-carboxylate
CID 57355338
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146523656
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 4-[[4-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate
CID 171774165
tert-butyl 4-[5-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]piperidine-1-carboxylate
CID 174216398
tert-butyl 4-[[(5-amino-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 53255819
tert-butyl 4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]ethyl]piperidine-1-carboxylate
CID 164720022
tert-butyl 4-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]azetidin-1-yl]piperidine-1-carboxylate
CID 177362869
tert-butyl 4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidine-1-carboxylate
CID 172591640
tert-butyl 4-[[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177300780

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate (CID 178015468) is tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNc2ccc(C3CCC(=O)NC3=O)nc2)CC1.
What is the InChIKey of tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is PHBQCCHPRHWEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-21(2,3)29-20(28)25-10-8-14(9-11-25)12-22-15-4-6-17(23-13-15)16-5-7-18(26)24-19(16)27/h4,6,13-14,16,22H,5,7-12H2,1-3H3,(H,24,26,27).
What are the key properties of tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 402.50 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 178015468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).