tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate

C28H42N4O4 — CID 170737838

IUPACtert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CCN2CCN(c3ccc(C4CCC(=O)NC4=O)cc3)CC2)CC1
InChIInChI=1S/C28H42N4O4/c1-28(2,3)36-27(35)29-22-8-4-20(5-9-22)14-15-31-16-18-32(19-17-31)23-10-6-21(7-11-23)24-12-13-25(33)30-26(24)34/h6-7,10-11,20,22,24H,4-5,8-9,12-19H2,1-3H3,(H,29,35)(H,30,33,34)
InChIKeyXAQNKDUCFYUMQJ-UHFFFAOYSA-N
MW498.67 g/mol
LogP3.80
Rot. Bonds6

About tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate

tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate (PubChem CID 170737838) has the molecular formula C28H42N4O4 and a molecular weight of 498.67 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
PubChem CID170737838
Molecular FormulaC28H42N4O4
Molecular Weight498.67 g/mol
Exact Mass498.32
IUPAC Nametert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CCN2CCN(c3ccc(C4CCC(=O)NC4=O)cc3)CC2)CC1
InChIInChI=1S/C28H42N4O4/c1-28(2,3)36-27(35)29-22-8-4-20(5-9-22)14-15-31-16-18-32(19-17-31)23-10-6-21(7-11-23)24-12-13-25(33)30-26(24)34/h6-7,10-11,20,22,24H,4-5,8-9,12-19H2,1-3H3,(H,29,35)(H,30,33,34)
InChIKeyXAQNKDUCFYUMQJ-UHFFFAOYSA-N
XLogP3.80
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]methyl]piperidin-1-yl]ethyl]phenyl]carbamate
CID 177198205
tert-butyl N-[4-[[(2S)-4-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-2-methylpiperazin-1-yl]methyl]cyclohexyl]carbamate
CID 170953663
tert-butyl N-[4-[2-[4-[4-[1-(methylamino)-1,5-dioxopentan-2-yl]phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
CID 170737740
tert-butyl N-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]ethyl]piperidin-4-yl]carbamate
CID 171637388
tert-butyl N-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]phenyl]piperazin-1-yl]acetyl]piperidin-4-yl]carbamate
CID 167463444
tert-butyl 2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 170979463
tert-butyl 3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]propanoate
CID 170770822
tert-butyl 4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3-methylazetidin-3-yl]piperazine-1-carboxylate
CID 177364649
tert-butyl 2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 178005256
[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
CID 174225411
tert-butyl 4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidine-1-carboxylate
CID 172591640
tert-butyl 3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]propanoate
CID 166947699

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate (CID 170737838) is tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(CCN2CCN(c3ccc(C4CCC(=O)NC4=O)cc3)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate?
The InChIKey is XAQNKDUCFYUMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O4/c1-28(2,3)36-27(35)29-22-8-4-20(5-9-22)14-15-31-16-18-32(19-17-31)23-10-6-21(7-11-23)24-12-13-25(33)30-26(24)34/h6-7,10-11,20,22,24H,4-5,8-9,12-19H2,1-3H3,(H,29,35)(H,30,33,34).
What are the key properties of tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate?
tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate has a molecular weight of 498.67 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 170737838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).