tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate

C21H34N4O2 — CID 24958507

IUPACtert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCc1cnc(C)c(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1
InChIInChI=1S/C21H34N4O2/c1-15-14-22-16(2)19(23-15)24-10-6-17(7-11-24)18-8-12-25(13-9-18)20(26)27-21(3,4)5/h14,17-18H,6-13H2,1-5H3
InChIKeyDHZPGIBJWBBNFO-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.96
Rot. Bonds2

About tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate (PubChem CID 24958507) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
PubChem CID24958507
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Nametert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCc1cnc(C)c(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1
InChIInChI=1S/C21H34N4O2/c1-15-14-22-16(2)19(23-15)24-10-6-17(7-11-24)18-8-12-25(13-9-18)20(26)27-21(3,4)5/h14,17-18H,6-13H2,1-5H3
InChIKeyDHZPGIBJWBBNFO-UHFFFAOYSA-N
XLogP3.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate (CID 24958507) is tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate is Cc1cnc(C)c(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1.
What is the InChIKey of tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
The InChIKey is DHZPGIBJWBBNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-15-14-22-16(2)19(23-15)24-10-6-17(7-11-24)18-8-12-25(13-9-18)20(26)27-21(3,4)5/h14,17-18H,6-13H2,1-5H3.
What are the key properties of tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate has a molecular weight of 374.53 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 24958507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).