tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate

C20H30N4O5Si — CID 174315495

IUPACtert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ccc(N[C@]3([SiH3])CCC(=O)NC3=O)cc2=O)CC1
InChIInChI=1S/C20H30N4O5Si/c1-19(2,3)29-18(28)23-9-6-14(7-10-23)24-11-5-13(12-16(24)26)22-20(30)8-4-15(25)21-17(20)27/h5,11-12,14,22H,4,6-10H2,1-3,30H3,(H,21,25,27)/t20-/m0/s1
InChIKeyWFWICMQXVWCGJP-FQEVSTJZSA-N
MW434.57 g/mol
LogP0.33
Rot. Bonds3

About tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate (PubChem CID 174315495) has the molecular formula C20H30N4O5Si and a molecular weight of 434.57 g/mol. Its IUPAC name is tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate
PubChem CID174315495
Molecular FormulaC20H30N4O5Si
Molecular Weight434.57 g/mol
Exact Mass434.20
IUPAC Nametert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ccc(N[C@]3([SiH3])CCC(=O)NC3=O)cc2=O)CC1
InChIInChI=1S/C20H30N4O5Si/c1-19(2,3)29-18(28)23-9-6-14(7-10-23)24-11-5-13(12-16(24)26)22-20(30)8-4-15(25)21-17(20)27/h5,11-12,14,22H,4,6-10H2,1-3,30H3,(H,21,25,27)/t20-/m0/s1
InChIKeyWFWICMQXVWCGJP-FQEVSTJZSA-N
XLogP0.33
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
CID 171497821
tert-butyl 4-[4-(3-fluoro-2,6-dioxopiperidin-3-yl)phenyl]piperidine-1-carboxylate
CID 170737619
tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate
CID 170737574
tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate
CID 164914870
tert-butyl 4-[5-(2,4-dioxo-1,3-diazinan-1-yl)-4,6-difluoroindol-1-yl]piperidine-1-carboxylate
CID 176562903
1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione
CID 67620494
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazine-1-carboxylate
CID 146573080
tert-butyl 4-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]azetidin-1-yl]piperidine-1-carboxylate
CID 177362869
tert-butyl 4-[2-[(3-morpholin-4-ylphenyl)carbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56513587
tert-butyl 4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperidine-1-carboxylate;ethane
CID 170749705
tert-butyl 7-cyclopropyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 162400665
tert-butyl 4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidine-1-carboxylate
CID 156505960

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate (CID 174315495) is tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2ccc(N[C@]3([SiH3])CCC(=O)NC3=O)cc2=O)CC1.
What is the InChIKey of tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate?
The InChIKey is WFWICMQXVWCGJP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N4O5Si/c1-19(2,3)29-18(28)23-9-6-14(7-10-23)24-11-5-13(12-16(24)26)22-20(30)8-4-15(25)21-17(20)27/h5,11-12,14,22H,4,6-10H2,1-3,30H3,(H,21,25,27)/t20-/m0/s1.
What are the key properties of tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate has a molecular weight of 434.57 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[(3S)-2,6-dioxo-3-silylpiperidin-3-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 174315495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).