tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate

C22H32N4O3 — CID 55990011

IUPACtert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate
SMILESCc1cc(C)c2cc(C(=O)NCCN3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1
InChIInChI=1S/C22H32N4O3/c1-15-12-16(2)17-14-19(24-18(17)13-15)20(27)23-6-7-25-8-10-26(11-9-25)21(28)29-22(3,4)5/h12-14,24H,6-11H2,1-5H3,(H,23,27)
InChIKeySPRGYJGDHGHXDI-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.07
Rot. Bonds4

About tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate (PubChem CID 55990011) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate
PubChem CID55990011
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Nametert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate
SMILESCc1cc(C)c2cc(C(=O)NCCN3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1
InChIInChI=1S/C22H32N4O3/c1-15-12-16(2)17-14-19(24-18(17)13-15)20(27)23-6-7-25-8-10-26(11-9-25)21(28)29-22(3,4)5/h12-14,24H,6-11H2,1-5H3,(H,23,27)
InChIKeySPRGYJGDHGHXDI-UHFFFAOYSA-N
XLogP3.07
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55990770
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tert-butyl 4-[2-(ethoxycarbonylamino)ethyl]piperazine-1-carboxylate
CID 110397582
tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate
CID 55991925
tert-butyl 4-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 55990263
tert-butyl 4-[2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]ethyl]piperazine-1-carboxylate
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tert-butyl 4-[2-[(2-chloropyridine-3-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 138585805
4,6-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 86930506
tert-butyl 3-[[(4,5-dimethyl-1H-indole-2-carbonyl)amino]methyl]-3-(hydroxymethyl)azetidine-1-carboxylate
CID 155961882
tert-butyl 4-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]piperazine-1-carboxylate
CID 55990649
tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate
CID 107243537
tert-butyl 4-[2-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]ethyl]piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate (CID 55990011) is tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate is Cc1cc(C)c2cc(C(=O)NCCN3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1.
What is the InChIKey of tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate?
The InChIKey is SPRGYJGDHGHXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-15-12-16(2)17-14-19(24-18(17)13-15)20(27)23-6-7-25-8-10-26(11-9-25)21(28)29-22(3,4)5/h12-14,24H,6-11H2,1-5H3,(H,23,27).
What are the key properties of tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate has a molecular weight of 400.52 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 55990011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).