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

C17H24N2O3 — CID 52774591

IUPACtert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-12-8-7-11-14(19)15(20)18-13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyNAYMDGWMJCHDRF-CQSZACIVSA-N
MW304.39 g/mol
LogP3.41
Rot. Bonds2

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

tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate (PubChem CID 52774591) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
PubChem CID52774591
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-12-8-7-11-14(19)15(20)18-13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyNAYMDGWMJCHDRF-CQSZACIVSA-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 (2S)-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70174711
tert-butyl (2R)-2-[[4-(2-phenylethynyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 143190861
tert-butyl (2S)-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 11101307
tert-butyl (2R)-2-[(4-carbamoylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 8023967
tert-butyl 2-[(3-acetamidophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 51149886
tert-butyl 2-[[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 155819065
tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2884114
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689
tert-butyl (2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 11937062
tert-butyl (2R)-2-[(3-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 9138621
tert-butyl (2S)-2-[[4-(hydroxymethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 172641100

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate (CID 52774591) is tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Nc1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is NAYMDGWMJCHDRF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-12-8-7-11-14(19)15(20)18-13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,18,20)/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate?
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-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 (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 52774591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).