tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate

C15H28N2O3 — CID 100994535

IUPACtert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)NC(=O)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2,3)16-12(18)11-9-7-8-10-17(11)13(19)20-15(4,5)6/h11H,7-10H2,1-6H3,(H,16,18)
InChIKeyKCYXUGCOLRMFLG-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.69
Rot. Bonds1

About tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate

tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate (PubChem CID 100994535) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
PubChem CID100994535
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)NC(=O)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2,3)16-12(18)11-9-7-8-10-17(11)13(19)20-15(4,5)6/h11H,7-10H2,1-6H3,(H,16,18)
InChIKeyKCYXUGCOLRMFLG-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(acetamidocarbamoyl)piperidine-1-carboxylate
CID 131748452
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
2-methyl-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 12990507
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
CID 3292084
tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium
CID 173484458
tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 75467174
tert-butyl 2-(3-oxobutanoyl)piperidine-1-carboxylate
CID 82667344
tert-butyl (2S)-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]carbamoyl]piperidine-1-carboxylate
CID 52805290
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
tert-butyl (2S)-2-(2-chloroacetyl)piperidine-1-carboxylate
CID 91971112

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate (CID 100994535) is tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate is CC(C)(C)NC(=O)C1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is KCYXUGCOLRMFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)16-12(18)11-9-7-8-10-17(11)13(19)20-15(4,5)6/h11H,7-10H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 100994535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).