tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate

C17H30N2O3 — CID 3342289

IUPACtert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H30N2O3/c1-13-5-9-18(10-6-13)15(20)14-7-11-19(12-8-14)16(21)22-17(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyRAPVJTVSZIEBCK-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.89
Rot. Bonds1

About tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate

tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 3342289) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID3342289
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H30N2O3/c1-13-5-9-18(10-6-13)15(20)14-7-11-19(12-8-14)16(21)22-17(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyRAPVJTVSZIEBCK-UHFFFAOYSA-N
XLogP2.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 178154076
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]-1,4-diazepane-1-carboxylate
CID 52843125
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 110629364
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 75421507
tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 129314371
tert-butyl 4-[(2S,6R)-2,6-dimethylazepane-1-carbonyl]piperidine-1-carboxylate
CID 95776693
methyl 4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 168882498
tert-butyl 4-(1,3-dihydroisoindole-2-carbonyl)piperidine-1-carboxylate
CID 169094693
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119028566
tert-butyl 4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylate;ethane
CID 143680712

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate (CID 3342289) is tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate is CC1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is RAPVJTVSZIEBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-13-5-9-18(10-6-13)15(20)14-7-11-19(12-8-14)16(21)22-17(2,3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate?
tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 3342289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).