tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate

C19H37N3O3 — CID 114235526

IUPACtert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)CNC(=O)C(C)NC1CCN(C(=O)OC(C)(C)C)CC1(C)C
InChIInChI=1S/C19H37N3O3/c1-13(2)11-20-16(23)14(3)21-15-9-10-22(12-19(15,7)8)17(24)25-18(4,5)6/h13-15,21H,9-12H2,1-8H3,(H,20,23)
InChIKeyWRHFLBHCYYJBQW-UHFFFAOYSA-N
MW355.52 g/mol
LogP2.77
Rot. Bonds5

About tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate

tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate (PubChem CID 114235526) has the molecular formula C19H37N3O3 and a molecular weight of 355.52 g/mol. Its IUPAC name is tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
PubChem CID114235526
Molecular FormulaC19H37N3O3
Molecular Weight355.52 g/mol
Exact Mass355.28
IUPAC Nametert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)CNC(=O)C(C)NC1CCN(C(=O)OC(C)(C)C)CC1(C)C
InChIInChI=1S/C19H37N3O3/c1-13(2)11-20-16(23)14(3)21-15-9-10-22(12-19(15,7)8)17(24)25-18(4,5)6/h13-15,21H,9-12H2,1-8H3,(H,20,23)
InChIKeyWRHFLBHCYYJBQW-UHFFFAOYSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3,3-dimethyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 114235505
tert-butyl (4R)-3,3-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylate
CID 86707892
1-O-tert-butyl 4-O-[1-(2-methylpropylamino)-1-oxopropan-2-yl] piperidine-1,4-dicarboxylate
CID 55422887
tert-butyl 3-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrrolidine-1-carboxylate
CID 80718559
tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate
CID 68939802
tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
CID 131637058
tert-butyl (4S)-3,3-difluoro-4-(methylamino)piperidine-1-carboxylate
CID 164876565
tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate
CID 114235580
tert-butyl 4-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 9470586
tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate
CID 104956396
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate (CID 114235526) is tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate is CC(C)CNC(=O)C(C)NC1CCN(C(=O)OC(C)(C)C)CC1(C)C.
What is the InChIKey of tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is WRHFLBHCYYJBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O3/c1-13(2)11-20-16(23)14(3)21-15-9-10-22(12-19(15,7)8)17(24)25-18(4,5)6/h13-15,21H,9-12H2,1-8H3,(H,20,23).
What are the key properties of tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate?
tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 355.52 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 114235526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).