tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate

C19H29N3O3 — CID 123722190

IUPACtert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate
SMILESCc1ccnc(C(C)(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-14-7-8-20-15(13-14)19(5,6)16(23)21-9-11-22(12-10-21)17(24)25-18(2,3)4/h7-8,13H,9-12H2,1-6H3
InChIKeyHDQVHRWNZLLZGT-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.75
Rot. Bonds2

About tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate

tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate (PubChem CID 123722190) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate
PubChem CID123722190
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nametert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate
SMILESCc1ccnc(C(C)(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-14-7-8-20-15(13-14)19(5,6)16(23)21-9-11-22(12-10-21)17(24)25-18(2,3)4/h7-8,13H,9-12H2,1-6H3
InChIKeyHDQVHRWNZLLZGT-UHFFFAOYSA-N
XLogP2.75
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate (CID 123722190) is tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate is Cc1ccnc(C(C)(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate?
The InChIKey is HDQVHRWNZLLZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-7-8-20-15(13-14)19(5,6)16(23)21-9-11-22(12-10-21)17(24)25-18(2,3)4/h7-8,13H,9-12H2,1-6H3.
What are the key properties of tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate?
tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 123722190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).