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

C17H24N2O3 — CID 173109940

IUPACtert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-15(20)14-11-7-8-12-19(14)16(21)18-13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,18,21)
InChIKeyBDYXGDOZQYWSPW-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.41
Rot. Bonds2

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

tert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate (PubChem CID 173109940) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate
PubChem CID173109940
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-15(20)14-11-7-8-12-19(14)16(21)18-13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,18,21)
InChIKeyBDYXGDOZQYWSPW-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153
tert-butyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 81004052
tert-butyl (2R)-1-benzoylpyrrolidine-2-carboxylate
CID 81002194
tert-butyl (2S)-1-(1,3-dihydro-2-benzofuran-5-ylcarbamoyl)pyrrolidine-2-carboxylate
CID 122135823
tert-butyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 80998275
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
tert-butyl (2R)-1-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylate
CID 96528754
tert-butyl (2S)-1-[(2,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylate
CID 75382009
(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1468810
tert-butyl 1-phenoxypiperidine-2-carboxylate
CID 173183705
tert-butyl (2S)-1-[(4-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylate
CID 71914636

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate?
The IUPAC name of tert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate (CID 173109940) is tert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate is CC(C)(C)OC(=O)C1CCCCN1C(=O)Nc1ccccc1.
What is the InChIKey of tert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate?
The InChIKey is BDYXGDOZQYWSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)22-15(20)14-11-7-8-12-19(14)16(21)18-13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate?
tert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate is sourced from PubChem (CID 173109940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).