tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate

C18H37N3O2 — CID 103783956

IUPACtert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate
SMILESCC(C)C(CNC1CCN(C(C)C)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H37N3O2/c1-13(2)16(20-17(22)23-18(5,6)7)12-19-15-8-10-21(11-9-15)14(3)4/h13-16,19H,8-12H2,1-7H3,(H,20,22)
InChIKeyWPBDHQWAWFXPDF-UHFFFAOYSA-N
MW327.51 g/mol
LogP3.00
Rot. Bonds6

About tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate

tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate (PubChem CID 103783956) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate
PubChem CID103783956
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Nametert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate
SMILESCC(C)C(CNC1CCN(C(C)C)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H37N3O2/c1-13(2)16(20-17(22)23-18(5,6)7)12-19-15-8-10-21(11-9-15)14(3)4/h13-16,19H,8-12H2,1-7H3,(H,20,22)
InChIKeyWPBDHQWAWFXPDF-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate (CID 103783956) is tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate is CC(C)C(CNC1CCN(C(C)C)CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate?
The InChIKey is WPBDHQWAWFXPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-13(2)16(20-17(22)23-18(5,6)7)12-19-15-8-10-21(11-9-15)14(3)4/h13-16,19H,8-12H2,1-7H3,(H,20,22).
What are the key properties of tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate?
tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate has a molecular weight of 327.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 103783956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).