tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate

C17H24N2O3 — CID 46941819

IUPACtert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-10-7-13(8-11-19)15(20)12-14-6-4-5-9-18-14/h4-6,9,13H,7-8,10-12H2,1-3H3
InChIKeyYKTXWQRTFBQZTL-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.84
Rot. Bonds3

About tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate

tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate (PubChem CID 46941819) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate
PubChem CID46941819
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-10-7-13(8-11-19)15(20)12-14-6-4-5-9-18-14/h4-6,9,13H,7-8,10-12H2,1-3H3
InChIKeyYKTXWQRTFBQZTL-UHFFFAOYSA-N
XLogP2.84
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-[(2-pyridin-2-ylacetyl)amino]acetyl]piperidine-1-carboxylate
CID 139271621
tert-butyl 4-[[(2-pyridin-2-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 139805130
tert-butyl (2S)-2-(2-pyridin-2-ylacetyl)pyrrolidine-1-carboxylate
CID 93481126
tert-butyl 4-[2-(2-methylsulfanylpyrimidin-4-yl)acetyl]piperidine-1-carboxylate
CID 21036756
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647426
1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate;tert-butyl 4-(2-pyrimidin-4-ylacetyl)piperidine-1-carboxylate;methane;4-methylpyrimidine
CID 159186680
tert-butyl 3-[cyclopropyl(pyridin-2-ylmethyl)carbamoyl]piperidine-1-carboxylate
CID 55441174
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 4-[N'-(pyridin-2-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111023278
tert-butyl 3-[2-(2-methylphenyl)acetyl]pyrrolidine-1-carboxylate
CID 107091890
tert-butyl 4-(5-phenyl-4-sulfanylidenepentanoyl)piperidine-1-carboxylate
CID 158507429

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate (CID 46941819) is tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)Cc2ccccn2)CC1.
What is the InChIKey of tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate?
The InChIKey is YKTXWQRTFBQZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-10-7-13(8-11-19)15(20)12-14-6-4-5-9-18-14/h4-6,9,13H,7-8,10-12H2,1-3H3.
What are the key properties of tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate?
tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate is sourced from PubChem (CID 46941819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).