tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate

C17H30N2O4 — CID 57276741

IUPACtert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(C=O)OC2CCNCC2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(21)19-10-6-13(7-11-19)15(12-20)22-14-4-8-18-9-5-14/h12-15,18H,4-11H2,1-3H3
InChIKeyJZMDKXQQDRXYAF-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate

tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate (PubChem CID 57276741) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate
PubChem CID57276741
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nametert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(C=O)OC2CCNCC2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(21)19-10-6-13(7-11-19)15(12-20)22-14-4-8-18-9-5-14/h12-15,18H,4-11H2,1-3H3
InChIKeyJZMDKXQQDRXYAF-UHFFFAOYSA-N
XLogP1.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[(1S)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate
CID 126741779
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 89049248
tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate
CID 58808171
4-O,7-O-ditert-butyl 1-O-propan-2-yl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 58918460
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
tert-butyl 4-[(1S)-1-sulfanylethyl]piperidine-1-carboxylate
CID 97176087
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl 4-(2-oxopentyl)piperidine-1-carboxylate;1-piperidin-4-ylpentan-2-one;hydrochloride
CID 163426470
tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
CID 68579096

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate (CID 57276741) is tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(C=O)OC2CCNCC2)CC1.
What is the InChIKey of tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate?
The InChIKey is JZMDKXQQDRXYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-17(2,3)23-16(21)19-10-6-13(7-11-19)15(12-20)22-14-4-8-18-9-5-14/h12-15,18H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate?
tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 57276741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).