tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate

C22H34N4O2 — CID 24960705

IUPACtert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCN(c3cncc(C4CC4)n3)CC2)CC1
InChIInChI=1S/C22H34N4O2/c1-22(2,3)28-21(27)26-12-8-17(9-13-26)16-6-10-25(11-7-16)20-15-23-14-19(24-20)18-4-5-18/h14-18H,4-13H2,1-3H3
InChIKeyUZYLTLGEJWXKBW-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.22
Rot. Bonds3

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

tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate (PubChem CID 24960705) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
PubChem CID24960705
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Nametert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCN(c3cncc(C4CC4)n3)CC2)CC1
InChIInChI=1S/C22H34N4O2/c1-22(2,3)28-21(27)26-12-8-17(9-13-26)16-6-10-25(11-7-16)20-15-23-14-19(24-20)18-4-5-18/h14-18H,4-13H2,1-3H3
InChIKeyUZYLTLGEJWXKBW-UHFFFAOYSA-N
XLogP4.22
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10030012, Example 49
CID 78318148
US10030012, Example 50
CID 78318149
1-[4-(6-Morpholin-4-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 95825045
tert-butyl (10R)-5-(trifluoromethyl)-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxylate
CID 166082618
Tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24960706
Tert-butyl 4-[6-(3-aminopropyl)pyrazin-2-yl]piperazine-1-carboxylate;hydrochloride
CID 177799680
3-[6-(1-Acetylpiperidin-4-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110098954
Tert-butyl 3-[5-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 110099018
Tert-butyl 4-(5-butylpyrazin-2-yl)piperazine-1-carboxylate
CID 21069203
Tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24958507
Tert-butyl 4-(1-(3-cyanopyrazin-2-yl)piperidin-4-yl)piperidine-1-carboxylate
CID 24959229
Tert-butyl 4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24960703

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate (CID 24960705) is tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CCN(c3cncc(C4CC4)n3)CC2)CC1.
What is the InChIKey of tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
The InChIKey is UZYLTLGEJWXKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-22(2,3)28-21(27)26-12-8-17(9-13-26)16-6-10-25(11-7-16)20-15-23-14-19(24-20)18-4-5-18/h14-18H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate has a molecular weight of 386.54 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 24960705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).