tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate

C21H36N4O2 — CID 10762096

IUPACtert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCC(C)(C)Nc1cccnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H36N4O2/c1-8-21(5,6)23-17-10-9-13-22-18(17)24(7)16-11-14-25(15-12-16)19(26)27-20(2,3)4/h9-10,13,16,23H,8,11-12,14-15H2,1-7H3
InChIKeyCDIUWUXTDOKHLT-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.52
Rot. Bonds5

About tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate

tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 10762096) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID10762096
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Nametert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCC(C)(C)Nc1cccnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H36N4O2/c1-8-21(5,6)23-17-10-9-13-22-18(17)24(7)16-11-14-25(15-12-16)19(26)27-20(2,3)4/h9-10,13,16,23H,8,11-12,14-15H2,1-7H3
InChIKeyCDIUWUXTDOKHLT-UHFFFAOYSA-N
XLogP4.52
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(3-cyano-2-pyridinyl)-methylamino]piperidine-1-carboxylate
CID 59362085
tert-butyl 4-[cyclopropyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 11793824
tert-butyl 4-[(2-ethyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 138472256
tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 138487958
tert-butyl (3S)-3-[methyl-(3-nitro-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71646778
tert-butyl 4-[methyl-[3-(methylamino)quinoxalin-2-yl]amino]piperidine-1-carboxylate
CID 71648017
tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47072487
tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 110312079
tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate
CID 69321662
tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate
CID 71633239
tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 172906292
5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 175563782

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate (CID 10762096) is tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate is CCC(C)(C)Nc1cccnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is CDIUWUXTDOKHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-8-21(5,6)23-17-10-9-13-22-18(17)24(7)16-11-14-25(15-12-16)19(26)27-20(2,3)4/h9-10,13,16,23H,8,11-12,14-15H2,1-7H3.
What are the key properties of tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 376.55 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 10762096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).