tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate

C18H32N2O4 — CID 11645819

IUPACtert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1O
InChIInChI=1S/C18H32N2O4/c1-13-5-8-20(12-15(13)21)16(22)11-14-6-9-19(10-7-14)17(23)24-18(2,3)4/h13-15,21H,5-12H2,1-4H3
InChIKeyBIBMYYQUHMAYGJ-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.25
Rot. Bonds2

About tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 11645819) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID11645819
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nametert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1O
InChIInChI=1S/C18H32N2O4/c1-13-5-8-20(12-15(13)21)16(22)11-14-6-9-19(10-7-14)17(23)24-18(2,3)4/h13-15,21H,5-12H2,1-4H3
InChIKeyBIBMYYQUHMAYGJ-UHFFFAOYSA-N
XLogP2.25
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]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-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 71864037
tert-butyl (3S,4S)-3-hydroxy-4-[4-[(3S,4S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]buta-1,3-diynyl]piperidine-1-carboxylate
CID 101792099
Tert-butyl 4-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 71848369
1-[3-[4-[(Dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 168452838
Tert-butyl 4-[2-(4-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11501010
Tert-butyl 4-[2-(3-ethyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11566556
Tert-butyl 4-[2-(4-hydroxy-2-propan-2-ylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11574217
Tert-butyl 4-[2-(2-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11602553
Tert-butyl 4-[2-(4-hydroxy-2-propylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11603106
Tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11609811
Tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11625138
Tert-butyl 4-[2-(4-hydroxy-3-propylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11632069

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (CID 11645819) is tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is CC1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1O.
What is the InChIKey of tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is BIBMYYQUHMAYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-13-5-8-20(12-15(13)21)16(22)11-14-6-9-19(10-7-14)17(23)24-18(2,3)4/h13-15,21H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 340.46 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 11645819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).