tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate

C24H34N4O5 — CID 167009795

IUPACtert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate
SMILESCN(C)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)cccc1N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C24H34N4O5/c1-24(2,3)33-23(32)27-13-11-16(12-14-27)17-7-6-8-18(21(17)26(4)5)28(15-29)19-9-10-20(30)25-22(19)31/h6-8,15-16,19H,9-14H2,1-5H3,(H,25,30,31)
InChIKeyOTSMZOOBCUDBBW-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.64
Rot. Bonds5

About tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate

tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate (PubChem CID 167009795) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate
PubChem CID167009795
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC Nametert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate
SMILESCN(C)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)cccc1N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C24H34N4O5/c1-24(2,3)33-23(32)27-13-11-16(12-14-27)17-7-6-8-18(21(17)26(4)5)28(15-29)19-9-10-20(30)25-22(19)31/h6-8,15-16,19H,9-14H2,1-5H3,(H,25,30,31)
InChIKeyOTSMZOOBCUDBBW-UHFFFAOYSA-N
XLogP2.64
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 7-[[1-[3-[(2,6-dioxopiperidin-3-yl)-formylamino]-2-[methyl(propan-2-yl)amino]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 174257107
tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate
CID 166132108
tert-butyl 4-(3,4-diformylphenyl)piperazine-1-carboxylate;3-(dimethylamino)piperidine-2,6-dione
CID 178099863
tert-butyl 4-[2-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-1-carboxylate
CID 178099092
tert-butyl 4-[4-[3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-formylphenyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 172590476
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
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane
CID 163267654
tert-butyl 4-[2-[3-[(2,6-dioxopiperidin-3-yl)carbamoyl]-2-formylphenyl]ethynyl]piperidine-1-carboxylate
CID 166982444
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171362038
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazine-1-carboxylate
CID 146573080
1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione
CID 67620494

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate (CID 167009795) is tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate is CN(C)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)cccc1N(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate?
The InChIKey is OTSMZOOBCUDBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5/c1-24(2,3)33-23(32)27-13-11-16(12-14-27)17-7-6-8-18(21(17)26(4)5)28(15-29)19-9-10-20(30)25-22(19)31/h6-8,15-16,19H,9-14H2,1-5H3,(H,25,30,31).
What are the key properties of tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate has a molecular weight of 458.56 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 167009795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).