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

C34H52N6O5 — CID 174257107

IUPACtert-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
SMILESCC(C)N(C)c1c(N2CCC(CN3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)CC2)cccc1N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C34H52N6O5/c1-24(2)36(6)30-26(8-7-9-27(30)40(23-41)28-10-11-29(42)35-31(28)43)38-16-12-25(13-17-38)20-37-18-14-34(15-19-37)21-39(22-34)32(44)45-33(3,4)5/h7-9,23-25,28H,10-22H2,1-6H3,(H,35,42,43)
InChIKeyPGMKANRDHIMFEW-UHFFFAOYSA-N
MW624.83 g/mol
LogP3.85
Rot. Bonds8

About 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

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 (PubChem CID 174257107) has the molecular formula C34H52N6O5 and a molecular weight of 624.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID174257107
Molecular FormulaC34H52N6O5
Molecular Weight624.83 g/mol
Exact Mass624.40
IUPAC Nametert-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
SMILESCC(C)N(C)c1c(N2CCC(CN3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)CC2)cccc1N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C34H52N6O5/c1-24(2)36(6)30-26(8-7-9-27(30)40(23-41)28-10-11-29(42)35-31(28)43)38-16-12-25(13-17-38)20-37-18-14-34(15-19-37)21-39(22-34)32(44)45-33(3,4)5/h7-9,23-25,28H,10-22H2,1-6H3,(H,35,42,43)
InChIKeyPGMKANRDHIMFEW-UHFFFAOYSA-N
XLogP3.85
TPSA105.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate
CID 167009795
tert-butyl 4-[[2-[4-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylate
CID 167300759
tert-butyl N-[7-[[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-2,6-difluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 167463692
tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 175984559
tert-butyl 4-(3,4-diformylphenyl)piperazine-1-carboxylate;3-(dimethylamino)piperidine-2,6-dione
CID 178099863
tert-butyl 7-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 167463249
tert-butyl 4-[[4-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177363904
tert-butyl 6-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 178099304
N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 167190325
tert-butyl 7-(2-aminophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 89272008
tert-butyl 6-[2-[4-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-3-methylphenoxy]ethyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 154672437
tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177302156

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N(C)c1c(N2CCC(CN3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)CC2)cccc1N(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of 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?
The InChIKey is PGMKANRDHIMFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52N6O5/c1-24(2)36(6)30-26(8-7-9-27(30)40(23-41)28-10-11-29(42)35-31(28)43)38-16-12-25(13-17-38)20-37-18-14-34(15-19-37)21-39(22-34)32(44)45-33(3,4)5/h7-9,23-25,28H,10-22H2,1-6H3,(H,35,42,43).
What are the key properties of 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?
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 has a molecular weight of 624.83 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174257107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).