tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate

C16H23N3O3 — CID 91520427

IUPACtert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19(13-7-5-4-6-8-13)14(20)18-11-9-17-10-12-18/h4-8,17H,9-12H2,1-3H3
InChIKeyIIWFHOXTRCDMJO-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.45
Rot. Bonds1

About tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate

tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate (PubChem CID 91520427) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate
PubChem CID91520427
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nametert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19(13-7-5-4-6-8-13)14(20)18-11-9-17-10-12-18/h4-8,17H,9-12H2,1-3H3
InChIKeyIIWFHOXTRCDMJO-UHFFFAOYSA-N
XLogP2.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one
CID 10470597
[(2-methylpropan-2-yl)oxycarbonyl-(2-methylsulfonylphenyl)sulfonylamino] piperazine-1-carboxylate
CID 87312161
2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39284199
tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
ditert-butyl carbonate;piperazine-1-carboxylic acid
CID 161485280
tert-butyl N-(1-acetylpiperidin-4-yl)-N-(3-phenylpropyl)carbamate;tert-butyl N-(3-phenylpropyl)-N-piperidin-4-ylcarbamate
CID 159612992
[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl] piperazine-1-carboxylate
CID 90865323
N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide
CID 118026213
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
tert-butyl acetate;piperazine-1-carboxylic acid
CID 167582748
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl]carbamate
CID 14308226

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate?
The IUPAC name of tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate (CID 91520427) is tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate.
What is the SMILES notation for tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate?
The canonical SMILES for tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate is CC(C)(C)OC(=O)N(C(=O)N1CCNCC1)c1ccccc1.
What is the InChIKey of tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate?
The InChIKey is IIWFHOXTRCDMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19(13-7-5-4-6-8-13)14(20)18-11-9-17-10-12-18/h4-8,17H,9-12H2,1-3H3.
What are the key properties of tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate?
tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate has a molecular weight of 305.38 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate is sourced from PubChem (CID 91520427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).