tert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate

C14H26N2O3 — CID 53256369

IUPACtert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate
SMILESCCC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-12(17)16-8-6-11(7-9-16)10-15-13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyCMWWWTOAGNFPIW-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.16
Rot. Bonds3

About tert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate

tert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate (PubChem CID 53256369) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate
PubChem CID53256369
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate
SMILESCCC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-12(17)16-8-6-11(7-9-16)10-15-13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyCMWWWTOAGNFPIW-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.16
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-propanoylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate (CID 53256369) is tert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate is CCC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate?
The InChIKey is CMWWWTOAGNFPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-12(17)16-8-6-11(7-9-16)10-15-13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-propanoylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 53256369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).