tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium

C41H56N6O6U15 — CID 161247983

IUPACtert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccccc2)C1.CC(C)(C)OC(=O)N1CCN[C@H](CNC(=O)c2ccccc2)C1.[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U]
InChIInChI=1S/C24H31N3O3.C17H25N3O3.15U/c1-24(2,3)30-23(29)27-15-14-26(17-19-10-6-4-7-11-19)21(18-27)16-25-22(28)20-12-8-5-9-13-20;1-17(2,3)23-16(22)20-10-9-18-14(12-20)11-19-15(21)13-7-5-4-6-8-13;;;;;;;;;;;;;;;/h4-13,21H,14-18H2,1-3H3,(H,25,28);4-8,14,18H,9-12H2,1-3H3,(H,19,21);;;;;;;;;;;;;;;/t21-;14-;;;;;;;;;;;;;;;/m11.............../s1
InChIKeyVAWRNGNLIOVVLH-SUCKQWIZSA-N
MW4299.37 g/mol
LogP5.16
Rot. Bonds8

About tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium

tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium (PubChem CID 161247983) has the molecular formula C41H56N6O6U15 and a molecular weight of 4299.37 g/mol. Its IUPAC name is tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium.

Molecular Properties

Compound Nametert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium
PubChem CID161247983
Molecular FormulaC41H56N6O6U15
Molecular Weight4299.37 g/mol
Exact Mass4299.19
IUPAC Nametert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccccc2)C1.CC(C)(C)OC(=O)N1CCN[C@H](CNC(=O)c2ccccc2)C1.[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U]
InChIInChI=1S/C24H31N3O3.C17H25N3O3.15U/c1-24(2,3)30-23(29)27-15-14-26(17-19-10-6-4-7-11-19)21(18-27)16-25-22(28)20-12-8-5-9-13-20;1-17(2,3)23-16(22)20-10-9-18-14(12-20)11-19-15(21)13-7-5-4-6-8-13;;;;;;;;;;;;;;;/h4-13,21H,14-18H2,1-3H3,(H,25,28);4-8,14,18H,9-12H2,1-3H3,(H,19,21);;;;;;;;;;;;;;;/t21-;14-;;;;;;;;;;;;;;;/m11.............../s1
InChIKeyVAWRNGNLIOVVLH-SUCKQWIZSA-N
XLogP5.16
TPSA132.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004299.37
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate
CID 23247137
tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate
CID 139034686
4-[[2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 75088591
tert-butyl 4-benzyl-3-cyanopiperazine-1-carboxylate
CID 53413955
3-[[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 45072537
2-[[(2R)-2-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 45073111
4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide
CID 58933512
tert-butyl 3-[[(3-amino-2,2-dimethyl-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-benzylpiperazine-1-carboxylate
CID 59325149
tert-butyl 3-[[(4-phenylbenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71270947
tert-butyl (3R)-4-benzyl-3-methyl-1,4-diazepane-1-carboxylate
CID 70304372
4-bromo-3-chloro-2-[[(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]methylamino]benzoic acid
CID 155684227
tert-butyl 8-benzyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate
CID 118992843

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium?
The IUPAC name of tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium (CID 161247983) is tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium.
What is the SMILES notation for tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium?
The canonical SMILES for tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium is CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccccc2)C1.CC(C)(C)OC(=O)N1CCN[C@H](CNC(=O)c2ccccc2)C1.[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].
What is the InChIKey of tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium?
The InChIKey is VAWRNGNLIOVVLH-SUCKQWIZSA-N. The full InChI is InChI=1S/C24H31N3O3.C17H25N3O3.15U/c1-24(2,3)30-23(29)27-15-14-26(17-19-10-6-4-7-11-19)21(18-27)16-25-22(28)20-12-8-5-9-13-20;1-17(2,3)23-16(22)20-10-9-18-14(12-20)11-19-15(21)13-7-5-4-6-8-13;;;;;;;;;;;;;;;/h4-13,21H,14-18H2,1-3H3,(H,25,28);4-8,14,18H,9-12H2,1-3H3,(H,19,21);;;;;;;;;;;;;;;/t21-;14-;;;;;;;;;;;;;;;/m11.............../s1.
What are the key properties of tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium?
tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium has a molecular weight of 4299.37 g/mol, XLogP of 5.16, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium is sourced from PubChem (CID 161247983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).