tert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate

C19H27N3O6 — CID 118370052

IUPACtert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NC(=O)OCc2ccccc2)(C(=O)NO)C1
InChIInChI=1S/C19H27N3O6/c1-18(2,3)28-17(25)22-11-7-10-19(13-22,15(23)21-26)20-16(24)27-12-14-8-5-4-6-9-14/h4-6,8-9,26H,7,10-13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyNVZQGGKVNWHWFH-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.19
Rot. Bonds4

About tert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate

tert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate (PubChem CID 118370052) has the molecular formula C19H27N3O6 and a molecular weight of 393.44 g/mol. Its IUPAC name is tert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
PubChem CID118370052
Molecular FormulaC19H27N3O6
Molecular Weight393.44 g/mol
Exact Mass393.19
IUPAC Nametert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NC(=O)OCc2ccccc2)(C(=O)NO)C1
InChIInChI=1S/C19H27N3O6/c1-18(2,3)28-17(25)22-11-7-10-19(13-22,15(23)21-26)20-16(24)27-12-14-8-5-4-6-9-14/h4-6,8-9,26H,7,10-13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyNVZQGGKVNWHWFH-UHFFFAOYSA-N
XLogP2.19
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3S)-3-(methoxymethyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 175984767
1-O-benzyl 3-O-methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]piperidine-1,3-dicarboxylate
CID 134520739
tert-butyl 3-(1,1-difluoro-2-hydroxyethyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl 3-(1,1-difluoroprop-2-enyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 157056475
tert-butyl 3-(1,1-difluoroprop-2-enyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;3-(1,1-difluoroprop-2-enyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 159723615
1-O-benzyl 1-O'-tert-butyl (3aR,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-2H-indole-3,3'-piperidine]-1,1'-dicarboxylate
CID 71305291
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
8-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 171936778
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
1-O-tert-butyl 4-O-methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-1,4-dicarboxylate
CID 68992342
tert-butyl 4-(phenylmethoxycarbonylaminomethyl)azepane-1-carboxylate
CID 137424963
tert-butyl 3-hydroxy-3-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]pyrrolidine-1-carboxylate
CID 178147985
tert-butyl 3-acetyl-3-benzylpiperidine-1-carboxylate
CID 20592687

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate (CID 118370052) is tert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(NC(=O)OCc2ccccc2)(C(=O)NO)C1.
What is the InChIKey of tert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate?
The InChIKey is NVZQGGKVNWHWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O6/c1-18(2,3)28-17(25)22-11-7-10-19(13-22,15(23)21-26)20-16(24)27-12-14-8-5-4-6-9-14/h4-6,8-9,26H,7,10-13H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of tert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate?
tert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(hydroxycarbamoyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 118370052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).