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

C16H29N3O3 — CID 3961434

IUPACtert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCN1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-7-5-13(6-8-19)14(20)18-11-9-17(4)10-12-18/h13H,5-12H2,1-4H3
InChIKeyNJCYAEJCGFMXPK-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.41
Rot. Bonds1

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

tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 3961434) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate
PubChem CID3961434
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCN1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-7-5-13(6-8-19)14(20)18-11-9-17(4)10-12-18/h13H,5-12H2,1-4H3
InChIKeyNJCYAEJCGFMXPK-UHFFFAOYSA-N
XLogP1.41
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate (CID 3961434) is tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate is CN1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is NJCYAEJCGFMXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-7-5-13(6-8-19)14(20)18-11-9-17(4)10-12-18/h13H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate?
tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 311.43 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 3961434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).