tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate

C18H28N2O4S — CID 20664724

IUPACtert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2ccccc2)(NS(C)(=O)=O)CC1
InChIInChI=1S/C18H28N2O4S/c1-17(2,3)24-16(21)20-12-10-18(11-13-20,19-25(4,22)23)14-15-8-6-5-7-9-15/h5-9,19H,10-14H2,1-4H3
InChIKeyGKTTWZZGJGASIY-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.55
Rot. Bonds4

About tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate

tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate (PubChem CID 20664724) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate
PubChem CID20664724
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Nametert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2ccccc2)(NS(C)(=O)=O)CC1
InChIInChI=1S/C18H28N2O4S/c1-17(2,3)24-16(21)20-12-10-18(11-13-20,19-25(4,22)23)14-15-8-6-5-7-9-15/h5-9,19H,10-14H2,1-4H3
InChIKeyGKTTWZZGJGASIY-UHFFFAOYSA-N
XLogP2.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-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-benzyl-4-(dimethylamino)piperidine-1-carboxylate
CID 170993454
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 146249261
1-O-tert-butyl 4-O-methyl 4-benzylpiperidine-1,4-dicarboxylate
CID 20664732
tert-butyl 4-benzyl-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143220733
N-(1-benzylcyclopentyl)methanesulfonamide
CID 24840126
3-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylic acid
CID 154499539
ditert-butyl 4-benzyl-5-oxoazepane-1,4-dicarboxylate
CID 134942076
tert-butyl 4-(2-benzylsulfonylethyl)-4-hydroxypiperidine-1-carboxylate
CID 171480544
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439
tert-butyl 4-fluoro-4-(2-phenylethynyl)piperidine-1-carboxylate
CID 10685859

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate (CID 20664724) is tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2ccccc2)(NS(C)(=O)=O)CC1.
What is the InChIKey of tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate?
The InChIKey is GKTTWZZGJGASIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-17(2,3)24-16(21)20-12-10-18(11-13-20,19-25(4,22)23)14-15-8-6-5-7-9-15/h5-9,19H,10-14H2,1-4H3.
What are the key properties of tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate?
tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate has a molecular weight of 368.50 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate is sourced from PubChem (CID 20664724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).