tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate

C24H32N4O4 — CID 175908703

IUPACtert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate
SMILESC[C@H](CC(=O)OCc1ccccc1)c1cncnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H32N4O4/c1-18(14-21(29)31-16-19-8-6-5-7-9-19)20-15-25-17-26-22(20)27-10-12-28(13-11-27)23(30)32-24(2,3)4/h5-9,15,17-18H,10-14,16H2,1-4H3/t18-/m1/s1
InChIKeyZBCWDYPMPCFZCO-GOSISDBHSA-N
MW440.54 g/mol
LogP3.77
Rot. Bonds6

About tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate

tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 175908703) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID175908703
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Nametert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate
SMILESC[C@H](CC(=O)OCc1ccccc1)c1cncnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H32N4O4/c1-18(14-21(29)31-16-19-8-6-5-7-9-19)20-15-25-17-26-22(20)27-10-12-28(13-11-27)23(30)32-24(2,3)4/h5-9,15,17-18H,10-14,16H2,1-4H3/t18-/m1/s1
InChIKeyZBCWDYPMPCFZCO-GOSISDBHSA-N
XLogP3.77
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate
CID 156898070
tert-butyl 4-[6-bromo-5-[(2R)-4-(N-methylanilino)-4-oxobutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 118131914
benzyl 2-formamidoacetate;ditert-butyl piperazine-1,4-dicarboxylate
CID 142005002
tritert-butyl 11-(2-oxo-2-phenylmethoxyethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate
CID 25179082
tert-butyl 4-[2-[bis(2-oxo-2-phenylmethoxyethyl)amino]ethyl]piperazine-1-carboxylate
CID 153393655
4-O-benzyl 1-O-methyl (2R)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]butanedioate
CID 58474180
tert-butyl 4-[2-chloro-4-(4-oxo-4-phenylmethoxybutyl)phenyl]piperazine-1-carboxylate
CID 159203012
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate
CID 133059522
tert-butyl 4-[2-[(1S)-1-aminoethyl]phenyl]piperazine-1-carboxylate
CID 67625337
tert-butyl 4-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]carbamoyl]piperazine-1-carboxylate
CID 14723522
tert-butyl 4-[(4-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 172592582

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate (CID 175908703) is tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate is C[C@H](CC(=O)OCc1ccccc1)c1cncnc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is ZBCWDYPMPCFZCO-GOSISDBHSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-18(14-21(29)31-16-19-8-6-5-7-9-19)20-15-25-17-26-22(20)27-10-12-28(13-11-27)23(30)32-24(2,3)4/h5-9,15,17-18H,10-14,16H2,1-4H3/t18-/m1/s1.
What are the key properties of tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate?
tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 440.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]pyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 175908703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).