tert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate

C18H32N2O3 — CID 122152264

IUPACtert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate
SMILESCC1CCN(C(=O)C(C)C2CC2)CC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O3/c1-12-8-9-20(16(21)13(2)14-6-7-14)11-15(12)10-19-17(22)23-18(3,4)5/h12-15H,6-11H2,1-5H3,(H,19,22)
InChIKeyKYESTHNKNIPWNT-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.04
Rot. Bonds4

About tert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate

tert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate (PubChem CID 122152264) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate
PubChem CID122152264
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Nametert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate
SMILESCC1CCN(C(=O)C(C)C2CC2)CC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O3/c1-12-8-9-20(16(21)13(2)14-6-7-14)11-15(12)10-19-17(22)23-18(3,4)5/h12-15H,6-11H2,1-5H3,(H,19,22)
InChIKeyKYESTHNKNIPWNT-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate (CID 122152264) is tert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate is CC1CCN(C(=O)C(C)C2CC2)CC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate?
The InChIKey is KYESTHNKNIPWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-12-8-9-20(16(21)13(2)14-6-7-14)11-15(12)10-19-17(22)23-18(3,4)5/h12-15H,6-11H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate?
tert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate has a molecular weight of 324.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(2-cyclopropylpropanoyl)-4-methylpiperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 122152264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).