tert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate

C23H28N2O4 — CID 153331979

IUPACtert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)c2c(O)cccc2-c2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H28N2O4/c1-16-15-24(13-14-25(16)22(28)29-23(2,3)4)21(27)20-18(11-8-12-19(20)26)17-9-6-5-7-10-17/h5-12,16,26H,13-15H2,1-4H3/t16-/m1/s1
InChIKeyKWNMDPZJQMEJDW-MRXNPFEDSA-N
MW396.49 g/mol
LogP4.14
Rot. Bonds2

About tert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate

tert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate (PubChem CID 153331979) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is tert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate
PubChem CID153331979
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Nametert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)c2c(O)cccc2-c2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H28N2O4/c1-16-15-24(13-14-25(16)22(28)29-23(2,3)4)21(27)20-18(11-8-12-19(20)26)17-9-6-5-7-10-17/h5-12,16,26H,13-15H2,1-4H3/t16-/m1/s1
InChIKeyKWNMDPZJQMEJDW-MRXNPFEDSA-N
XLogP4.14
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86331566
tert-butyl (2R)-2-methyl-4-[(1S,2R)-2-phenylcyclopropanecarbonyl]piperazine-1-carboxylate
CID 100624275
tert-butyl (2S)-4-(benzenecarboximidoyl)-2-methylpiperazine-1-carboxylate
CID 58852064
tert-butyl (2S)-4-(2-bromo-4-methylbenzoyl)-2-methylpiperazine-1-carboxylate
CID 168509848
tert-butyl (2S)-4-(4-bromo-2,3-difluorobenzoyl)-2-methylpiperazine-1-carboxylate
CID 168511291
3-[[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]amino]benzoic acid
CID 165430418
3-[[(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]amino]benzoic acid
CID 165430419
tert-butyl 4-(2-ethenyl-3-methylbenzoyl)-2-methylpiperazine-1-carboxylate
CID 169452467
tert-butyl (2R)-4-(3,4-dichlorobenzoyl)-2-methylpiperazine-1-carboxylate
CID 95777639
tert-butyl (2S)-4-[(2-iodophenyl)carbamoyl]-2-methylpiperazine-1-carboxylate
CID 165429761
tert-butyl 4-(7-bromo-1-ethylindole-2-carbonyl)-2-methylpiperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate (CID 153331979) is tert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate is C[C@@H]1CN(C(=O)c2c(O)cccc2-c2ccccc2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate?
The InChIKey is KWNMDPZJQMEJDW-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-15-24(13-14-25(16)22(28)29-23(2,3)4)21(27)20-18(11-8-12-19(20)26)17-9-6-5-7-10-17/h5-12,16,26H,13-15H2,1-4H3/t16-/m1/s1.
What are the key properties of tert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate?
tert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-(2-hydroxy-6-phenylbenzoyl)-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 153331979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).