tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate

C19H35N3O3 — CID 75421507

IUPACtert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate
SMILESCC1CCN(C(=O)C(C)(C)N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O3/c1-15-7-9-20(10-8-15)16(23)19(5,6)22-13-11-21(12-14-22)17(24)25-18(2,3)4/h15H,7-14H2,1-6H3
InChIKeyMFTWUEVWDZPAHU-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.58
Rot. Bonds2

About tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate

tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate (PubChem CID 75421507) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate
PubChem CID75421507
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Nametert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate
SMILESCC1CCN(C(=O)C(C)(C)N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O3/c1-15-7-9-20(10-8-15)16(23)19(5,6)22-13-11-21(12-14-22)17(24)25-18(2,3)4/h15H,7-14H2,1-6H3
InChIKeyMFTWUEVWDZPAHU-UHFFFAOYSA-N
XLogP2.58
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289
tert-butyl 4-[1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-methyl-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 97317458
tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
CID 161367043
tert-butyl 3-methylpyrrolidine-1-carboxylate;formic acid
CID 143706686
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl 4-[2-(methylamino)propan-2-yl]piperidine-1-carboxylate
CID 84708894
tert-butyl (4S,5S)-4-amino-5-methylazepane-1-carboxylate
CID 124523400
tert-butyl 4-[[(4S)-4-methylazepane-1-carbonyl]amino]piperidine-1-carboxylate
CID 95041598
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate
CID 118402230
tert-butyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate
CID 57420345

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate (CID 75421507) is tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate is CC1CCN(C(=O)C(C)(C)N2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate?
The InChIKey is MFTWUEVWDZPAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-15-7-9-20(10-8-15)16(23)19(5,6)22-13-11-21(12-14-22)17(24)25-18(2,3)4/h15H,7-14H2,1-6H3.
What are the key properties of tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate has a molecular weight of 353.51 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 75421507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).