methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate

C17H29NO4 — CID 154783978

IUPACmethyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(C2(O)CCCN(C(C)C3CCOC3)C2)CCC1
InChIInChI=1S/C17H29NO4/c1-13(14-5-10-22-11-14)18-9-4-8-17(20,12-18)16(6-3-7-16)15(19)21-2/h13-14,20H,3-12H2,1-2H3
InChIKeyDJOKTEZUOXJQJR-UHFFFAOYSA-N
MW311.42 g/mol
LogP1.58
Rot. Bonds4

About methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate

methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate (PubChem CID 154783978) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate
PubChem CID154783978
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Namemethyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(C2(O)CCCN(C(C)C3CCOC3)C2)CCC1
InChIInChI=1S/C17H29NO4/c1-13(14-5-10-22-11-14)18-9-4-8-17(20,12-18)16(6-3-7-16)15(19)21-2/h13-14,20H,3-12H2,1-2H3
InChIKeyDJOKTEZUOXJQJR-UHFFFAOYSA-N
XLogP1.58
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate with MolForge

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Related Compounds

methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
CID 10059596
2-oxo-3-(oxolan-3-yl)-3-pyrrolidin-1-ylpropanoic acid
CID 69422544
ethyl 3-(azepan-1-yl)-3-(oxolan-3-yl)propanoate
CID 64528026
2-(oxolan-3-yl)-2-(propan-2-ylamino)acetamide
CID 60788193
1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
CID 65068812
tert-butyl 3-methyl-3-[[1-(oxolan-3-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 104537846
methyl (2S)-2-chloro-2-[(3S)-oxolan-3-yl]acetate
CID 94376600
2-methoxy-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 115648955
methyl 2-[1-(oxolan-3-yl)ethylamino]propanoate
CID 115660027
2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine
CID 65283837
methyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
CID 90196570
2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 115868589

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate (CID 154783978) is methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate is COC(=O)C1(C2(O)CCCN(C(C)C3CCOC3)C2)CCC1.
What is the InChIKey of methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate?
The InChIKey is DJOKTEZUOXJQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-13(14-5-10-22-11-14)18-9-4-8-17(20,12-18)16(6-3-7-16)15(19)21-2/h13-14,20H,3-12H2,1-2H3.
What are the key properties of methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate?
methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate has a molecular weight of 311.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-hydroxy-1-[1-(oxolan-3-yl)ethyl]piperidin-3-yl]cyclobutane-1-carboxylate is sourced from PubChem (CID 154783978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).