tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate

C26H39ClN4O3 — CID 166030955

IUPACtert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate
SMILESCN(C)C(=O)c1ccc(N2CC3(CCN(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)C2)cc1Cl
InChIInChI=1S/C26H39ClN4O3/c1-25(2,3)34-24(33)30-12-8-19(9-13-30)29-14-10-26(11-15-29)17-31(18-26)20-6-7-21(22(27)16-20)23(32)28(4)5/h6-7,16,19H,8-15,17-18H2,1-5H3
InChIKeyXPERRGXZWACKJY-UHFFFAOYSA-N
MW491.08 g/mol
LogP4.34
Rot. Bonds3

About tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate

tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate (PubChem CID 166030955) has the molecular formula C26H39ClN4O3 and a molecular weight of 491.08 g/mol. Its IUPAC name is tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate
PubChem CID166030955
Molecular FormulaC26H39ClN4O3
Molecular Weight491.08 g/mol
Exact Mass490.27
IUPAC Nametert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate
SMILESCN(C)C(=O)c1ccc(N2CC3(CCN(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)C2)cc1Cl
InChIInChI=1S/C26H39ClN4O3/c1-25(2,3)34-24(33)30-12-8-19(9-13-30)29-14-10-26(11-15-29)17-31(18-26)20-6-7-21(22(27)16-20)23(32)28(4)5/h6-7,16,19H,8-15,17-18H2,1-5H3
InChIKeyXPERRGXZWACKJY-UHFFFAOYSA-N
XLogP4.34
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.08
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 166030669
tert-butyl 9-[[3-chloro-4-(dimethylcarbamoyl)phenyl]methylidene]-3-azaspiro[5.5]undecane-3-carboxylate
CID 134442278
tert-butyl 4-[4-[4-(dimethylcarbamoyl)-3,5-difluorophenyl]piperazin-1-yl]piperidine-1-carboxylate
CID 166085395
tert-butyl 6-[3-[3-chloro-4-(dimethylcarbamoyl)anilino]azetidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166030591
tert-butyl 6-(3-chloro-4-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 168920700
tert-butyl 4-[2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]piperidine-1-carboxylate
CID 166142994
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860
tert-butyl 4-[(4R)-4-[3-chloro-4-(dimethylcarbamoyl)phenoxy]pentyl]piperidine-1-carboxylate
CID 152838496
tert-butyl 4-(4-hydroxy-4-methylpiperidin-1-yl)piperidine-1-carboxylate
CID 67298757
tert-butyl 4-[[1-[3-chloro-4-(methylcarbamoyl)phenyl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 129197473
tert-butyl 2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 170979463
2-chloro-4-[4-[1-(2-hydroxy-3-methyl-2-propan-2-ylbutanoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylbenzamide
CID 129145884

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate (CID 166030955) is tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate is CN(C)C(=O)c1ccc(N2CC3(CCN(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)C2)cc1Cl.
What is the InChIKey of tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate?
The InChIKey is XPERRGXZWACKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39ClN4O3/c1-25(2,3)34-24(33)30-12-8-19(9-13-30)29-14-10-26(11-15-29)17-31(18-26)20-6-7-21(22(27)16-20)23(32)28(4)5/h6-7,16,19H,8-15,17-18H2,1-5H3.
What are the key properties of tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate has a molecular weight of 491.08 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 166030955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).