tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate

C17H24N2O3 — CID 134494371

IUPACtert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate
SMILESCc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C17H24N2O3/c1-12-5-6-14(18-11-12)15(20)13-7-9-19(10-8-13)16(21)22-17(2,3)4/h5-6,11,13H,7-10H2,1-4H3
InChIKeyVAWOJIIELUWSPV-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.22
Rot. Bonds2

About tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate

tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate (PubChem CID 134494371) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate
PubChem CID134494371
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate
SMILESCc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C17H24N2O3/c1-12-5-6-14(18-11-12)15(20)13-7-9-19(10-8-13)16(21)22-17(2,3)4/h5-6,11,13H,7-10H2,1-4H3
InChIKeyVAWOJIIELUWSPV-UHFFFAOYSA-N
XLogP3.22
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[methyl-(5-methyl-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71646670
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
tert-butyl 3-[(5-methyl-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate
CID 103768701
tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 172906292
5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 175563782
tert-butyl 3-(1-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092126
tert-butyl 3-[(5-methyl-2-pyridinyl)sulfanyl]piperidine-1-carboxylate
CID 66570313
tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
tert-butyl (3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176740
tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
CID 164662482
tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate
CID 59505000
tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 90737093

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate (CID 134494371) is tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate is Cc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)nc1.
What is the InChIKey of tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate?
The InChIKey is VAWOJIIELUWSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-5-6-14(18-11-12)15(20)13-7-9-19(10-8-13)16(21)22-17(2,3)4/h5-6,11,13H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate?
tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 134494371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).