tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate

C20H37N3O4S — CID 167801897

IUPACtert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C20H37N3O4S/c1-20(2,3)27-19(24)22-13-9-18(10-14-22)28(25,26)23-15-7-17(8-16-23)21-11-5-4-6-12-21/h17-18H,4-16H2,1-3H3
InChIKeyHZIALTBVPPQJGF-UHFFFAOYSA-N
MW415.60 g/mol
LogP2.67
Rot. Bonds3

About tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate

tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate (PubChem CID 167801897) has the molecular formula C20H37N3O4S and a molecular weight of 415.60 g/mol. Its IUPAC name is tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate
PubChem CID167801897
Molecular FormulaC20H37N3O4S
Molecular Weight415.60 g/mol
Exact Mass415.25
IUPAC Nametert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C20H37N3O4S/c1-20(2,3)27-19(24)22-13-9-18(10-14-22)28(25,26)23-15-7-17(8-16-23)21-11-5-4-6-12-21/h17-18H,4-16H2,1-3H3
InChIKeyHZIALTBVPPQJGF-UHFFFAOYSA-N
XLogP2.67
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-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-pyrrolidin-1-ylsulfonylpiperidine-1-carboxylate
CID 59560785
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate
CID 163284820
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860
tert-butyl 4-(4-methyl-4-oxo-1,4λ5-azaphosphinan-1-yl)piperidine-1-carboxylate
CID 67052687
methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-3-carboxylate
CID 70943313
tert-butyl 4-(4-hydroxy-4-methylpiperidin-1-yl)piperidine-1-carboxylate
CID 67298757
tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
CID 68579096
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 146498115
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 86608801
tert-butyl 4-(3-methylpiperidin-1-yl)azepane-1-carboxylate
CID 165468989

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate (CID 167801897) is tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCC(N3CCCCC3)CC2)CC1.
What is the InChIKey of tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate?
The InChIKey is HZIALTBVPPQJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O4S/c1-20(2,3)27-19(24)22-13-9-18(10-14-22)28(25,26)23-15-7-17(8-16-23)21-11-5-4-6-12-21/h17-18H,4-16H2,1-3H3.
What are the key properties of tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate?
tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate has a molecular weight of 415.60 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperidine-1-carboxylate is sourced from PubChem (CID 167801897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).