tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate

C19H37N3O3 — CID 60595624

IUPACtert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate
SMILESCN(C)CC(C)(C)CNC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H37N3O3/c1-18(2,3)25-17(24)22-10-8-15(9-11-22)12-16(23)20-13-19(4,5)14-21(6)7/h15H,8-14H2,1-7H3,(H,20,23)
InChIKeyLNYFXXDWPFDROJ-UHFFFAOYSA-N
MW355.52 g/mol
LogP2.73
Rot. Bonds6

About tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 60595624) has the molecular formula C19H37N3O3 and a molecular weight of 355.52 g/mol. Its IUPAC name is tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate
PubChem CID60595624
Molecular FormulaC19H37N3O3
Molecular Weight355.52 g/mol
Exact Mass355.28
IUPAC Nametert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate
SMILESCN(C)CC(C)(C)CNC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H37N3O3/c1-18(2,3)25-17(24)22-10-8-15(9-11-22)12-16(23)20-13-19(4,5)14-21(6)7/h15H,8-14H2,1-7H3,(H,20,23)
InChIKeyLNYFXXDWPFDROJ-UHFFFAOYSA-N
XLogP2.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate (CID 60595624) is tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate is CN(C)CC(C)(C)CNC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is LNYFXXDWPFDROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O3/c1-18(2,3)25-17(24)22-10-8-15(9-11-22)12-16(23)20-13-19(4,5)14-21(6)7/h15H,8-14H2,1-7H3,(H,20,23).
What are the key properties of tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 355.52 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 60595624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).