tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate

C23H35N3O3 — CID 86723982

IUPACtert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)c1ccc2c(c1)N(C(=O)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)CC2
InChIInChI=1S/C23H35N3O3/c1-16(2)19-8-7-18-9-10-26(20(18)13-19)21(27)15-24-11-12-25(17(3)14-24)22(28)29-23(4,5)6/h7-8,13,16-17H,9-12,14-15H2,1-6H3/t17-/m1/s1
InChIKeyIDNMSYDJWOATNK-QGZVFWFLSA-N
MW401.55 g/mol
LogP3.64
Rot. Bonds3

About tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate

tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate (PubChem CID 86723982) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate
PubChem CID86723982
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Nametert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)c1ccc2c(c1)N(C(=O)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)CC2
InChIInChI=1S/C23H35N3O3/c1-16(2)19-8-7-18-9-10-26(20(18)13-19)21(27)15-24-11-12-25(17(3)14-24)22(28)29-23(4,5)6/h7-8,13,16-17H,9-12,14-15H2,1-6H3/t17-/m1/s1
InChIKeyIDNMSYDJWOATNK-QGZVFWFLSA-N
XLogP3.64
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone
CID 78079114
tert-butyl 4-[2-(3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-2-methylpiperazine-1-carboxylate
CID 90232017
tert-butyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84569944
tert-butyl 4-[(2-bromo-5-methoxycarbonylphenyl)methyl]-2-methylpiperazine-1-carboxylate
CID 169422602
7-oxo-7-(6-propan-2-yl-2,3-dihydroindol-1-yl)heptanoic acid
CID 171647835
tert-butyl 4-oxo-6-propan-2-yl-2,3-dihydroquinoline-1-carboxylate
CID 57366383
tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 98768098
tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 95777075
tert-butyl 5-(1-hydroxypropan-2-yl)-2,3-dihydroindole-1-carboxylate
CID 117444696
3-[[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 45073033
tert-butyl 4-[(4-methoxycarbonylphenyl)methyl]-2-methylpiperazine-1-carboxylate
CID 174989851
tert-butyl (2R)-4-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine-1-carboxylate
CID 168509822

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate (CID 86723982) is tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate is CC(C)c1ccc2c(c1)N(C(=O)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)CC2.
What is the InChIKey of tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is IDNMSYDJWOATNK-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-16(2)19-8-7-18-9-10-26(20(18)13-19)21(27)15-24-11-12-25(17(3)14-24)22(28)29-23(4,5)6/h7-8,13,16-17H,9-12,14-15H2,1-6H3/t17-/m1/s1.
What are the key properties of tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate?
tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 401.55 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methyl-4-[2-oxo-2-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 86723982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).