tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate

C25H35N5O5 — CID 155437928

IUPACtert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate
SMILESCN1C(=O)CCC(n2c(=O)n(C)c3c(N4CCC(N(C)C(=O)OC(C)(C)C)CC4)cccc32)C1=O
InChIInChI=1S/C25H35N5O5/c1-25(2,3)35-24(34)26(4)16-12-14-29(15-13-16)17-8-7-9-18-21(17)28(6)23(33)30(18)19-10-11-20(31)27(5)22(19)32/h7-9,16,19H,10-15H2,1-6H3
InChIKeyBYVFQKCBSPDNQU-UHFFFAOYSA-N
MW485.59 g/mol
LogP2.50
Rot. Bonds3

About tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate

tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate (PubChem CID 155437928) has the molecular formula C25H35N5O5 and a molecular weight of 485.59 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate
PubChem CID155437928
Molecular FormulaC25H35N5O5
Molecular Weight485.59 g/mol
Exact Mass485.26
IUPAC Nametert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate
SMILESCN1C(=O)CCC(n2c(=O)n(C)c3c(N4CCC(N(C)C(=O)OC(C)(C)C)CC4)cccc32)C1=O
InChIInChI=1S/C25H35N5O5/c1-25(2,3)35-24(34)26(4)16-12-14-29(15-13-16)17-8-7-9-18-21(17)28(6)23(33)30(18)19-10-11-20(31)27(5)22(19)32/h7-9,16,19H,10-15H2,1-6H3
InChIKeyBYVFQKCBSPDNQU-UHFFFAOYSA-N
XLogP2.50
TPSA97.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567416
tert-butyl N-[1-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3,6-dimethyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-N-methylcarbamate
CID 164567881
tert-butyl N-[1-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]prop-2-ynyl]piperidin-4-yl]-N-methylcarbamate
CID 138694305
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione
CID 171554865
1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 171554814
tert-butyl 4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 170408492
tert-butyl (2S)-4-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]-2-methylpiperazine-1-carboxylate
CID 164567388
3-[4-(4-aminopiperidin-1-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 156823555
tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate
CID 170449913
(1R,5S)-6-tert-butyl-3-[1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 155438816
tert-butyl N-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]carbamate
CID 164567028
tert-butyl 8-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164567394

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate (CID 155437928) is tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate is CN1C(=O)CCC(n2c(=O)n(C)c3c(N4CCC(N(C)C(=O)OC(C)(C)C)CC4)cccc32)C1=O.
What is the InChIKey of tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate?
The InChIKey is BYVFQKCBSPDNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O5/c1-25(2,3)35-24(34)26(4)16-12-14-29(15-13-16)17-8-7-9-18-21(17)28(6)23(33)30(18)19-10-11-20(31)27(5)22(19)32/h7-9,16,19H,10-15H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate?
tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate has a molecular weight of 485.59 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 155437928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).