tert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate

C17H32N2O5 — CID 123543257

IUPACtert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate
SMILESCCCOCCOCC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O5/c1-5-10-22-11-12-23-13-15(20)19-8-6-14(7-9-19)18-16(21)24-17(2,3)4/h14H,5-13H2,1-4H3,(H,18,21)
InChIKeyNXZRWHMJOSZFCD-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.95
Rot. Bonds8

About tert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate (PubChem CID 123543257) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate
PubChem CID123543257
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Nametert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate
SMILESCCCOCCOCC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O5/c1-5-10-22-11-12-23-13-15(20)19-8-6-14(7-9-19)18-16(21)24-17(2,3)4/h14H,5-13H2,1-4H3,(H,18,21)
InChIKeyNXZRWHMJOSZFCD-UHFFFAOYSA-N
XLogP1.95
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate (CID 123543257) is tert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate is CCCOCCOCC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate?
The InChIKey is NXZRWHMJOSZFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-5-10-22-11-12-23-13-15(20)19-8-6-14(7-9-19)18-16(21)24-17(2,3)4/h14H,5-13H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate has a molecular weight of 344.45 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(2-propoxyethoxy)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 123543257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).