tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate

C18H29N3O3 — CID 118872027

IUPACtert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate
SMILESCOc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)ccn1
InChIInChI=1S/C18H29N3O3/c1-13(2)15-12-20(17(22)24-18(3,4)5)9-10-21(15)14-7-8-19-16(11-14)23-6/h7-8,11,13,15H,9-10,12H2,1-6H3/t15-/m0/s1
InChIKeyWPYTYVOQMDHSCE-HNNXBMFYSA-N
MW335.45 g/mol
LogP3.17
Rot. Bonds3

About tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate

tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate (PubChem CID 118872027) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate
PubChem CID118872027
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nametert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate
SMILESCOc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)ccn1
InChIInChI=1S/C18H29N3O3/c1-13(2)15-12-20(17(22)24-18(3,4)5)9-10-21(15)14-7-8-19-16(11-14)23-6/h7-8,11,13,15H,9-10,12H2,1-6H3/t15-/m0/s1
InChIKeyWPYTYVOQMDHSCE-HNNXBMFYSA-N
XLogP3.17
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 135301753
(2R)-4-(4-fluoro-3-methylsulfonylphenyl)-1-(2-methoxy-4-pyridinyl)-2-propan-2-ylpiperazine
CID 118872032
(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(4-methyl-2-pyridinyl)piperazine-2-carboxylic acid
CID 97176220
tert-butyl (3R)-4-[5-(2-isocyanopropan-2-yl)-4-methylpyrimidin-2-yl]-3-propan-2-ylpiperazine-1-carboxylate
CID 159721895
tert-butyl (3S)-4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-3-methylpiperazine-1-carboxylate
CID 124891577
tert-butyl (3R)-3-methyl-4-(6-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126849469
tert-butyl 4-methyl-3-propan-2-ylpiperazine-1-carboxylate tritetrafluoroborate
CID 174172881
tert-butyl (3S)-3-methyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 95247753
tert-butyl 3-methyl-4-(4-methylphenyl)piperazine-1-carboxylate
CID 59853726
tert-butyl (3R)-4-(3-chlorophenyl)-3-methylpiperazine-1-carboxylate
CID 150433526
tert-butyl 3-[[4-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate
CID 168904014
tert-butyl 4-(6-bromo-3-pyridinyl)-3-methylpiperazine-1-carboxylate
CID 154726838

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate (CID 118872027) is tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate is COc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)ccn1.
What is the InChIKey of tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is WPYTYVOQMDHSCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13(2)15-12-20(17(22)24-18(3,4)5)9-10-21(15)14-7-8-19-16(11-14)23-6/h7-8,11,13,15H,9-10,12H2,1-6H3/t15-/m0/s1.
What are the key properties of tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate?
tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-4-(2-methoxy-4-pyridinyl)-3-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 118872027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).