tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate

C19H35N3O3 — CID 68817055

IUPACtert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1
InChIInChI=1S/C19H35N3O3/c1-14(2)21-11-12-22(15(3)13-21)17(23)16-7-9-20(10-8-16)18(24)25-19(4,5)6/h14-16H,7-13H2,1-6H3/t15-/m0/s1
InChIKeyLFSLXJCFQANEHC-HNNXBMFYSA-N
MW353.51 g/mol
LogP2.57
Rot. Bonds2

About tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate

tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 68817055) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate
PubChem CID68817055
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Nametert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1
InChIInChI=1S/C19H35N3O3/c1-14(2)21-11-12-22(15(3)13-21)17(23)16-7-9-20(10-8-16)18(24)25-19(4,5)6/h14-16H,7-13H2,1-6H3/t15-/m0/s1
InChIKeyLFSLXJCFQANEHC-HNNXBMFYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-4-(4,4-difluorocyclohexanecarbonyl)-3-methylpiperazine-1-carboxylate
CID 68937938
tert-butyl 4-[(2S,6R)-2,6-dimethylazepane-1-carbonyl]piperidine-1-carboxylate
CID 95776693
tert-butyl 3-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 69136429
tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289
benzyl (3S)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 68818466
tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate
CID 168850650
1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 178154076
tert-butyl 4-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazine-1-carbonyl]piperidine-1-carboxylate
CID 110629191
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one
CID 134380044
tert-butyl 4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]piperidine-1-carboxylate
CID 30665594
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate (CID 68817055) is tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate is CC(C)N1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1.
What is the InChIKey of tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is LFSLXJCFQANEHC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-14(2)21-11-12-22(15(3)13-21)17(23)16-7-9-20(10-8-16)18(24)25-19(4,5)6/h14-16H,7-13H2,1-6H3/t15-/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate?
tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 353.51 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 68817055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).