tert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate

C20H29N3O3 — CID 86688247

IUPACtert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(C3CC3)n2)CC1(C)C
InChIInChI=1S/C20H29N3O3/c1-19(2,3)26-18(25)23-12-11-22(13-20(23,4)5)17(24)16-8-6-7-15(21-16)14-9-10-14/h6-8,14H,9-13H2,1-5H3
InChIKeyRQFZVWPOXYHYPC-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.43
Rot. Bonds2

About tert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate

tert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate (PubChem CID 86688247) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is tert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate
PubChem CID86688247
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nametert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(C3CC3)n2)CC1(C)C
InChIInChI=1S/C20H29N3O3/c1-19(2,3)26-18(25)23-12-11-22(13-20(23,4)5)17(24)16-8-6-7-15(21-16)14-9-10-14/h6-8,14H,9-13H2,1-5H3
InChIKeyRQFZVWPOXYHYPC-UHFFFAOYSA-N
XLogP3.43
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate (CID 86688247) is tert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(C3CC3)n2)CC1(C)C.
What is the InChIKey of tert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate?
The InChIKey is RQFZVWPOXYHYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-19(2,3)26-18(25)23-12-11-22(13-20(23,4)5)17(24)16-8-6-7-15(21-16)14-9-10-14/h6-8,14H,9-13H2,1-5H3.
What are the key properties of tert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate?
tert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-cyclopropylpyridine-2-carbonyl)-2,2-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 86688247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).