oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate

C16H25NO4 — CID 60612573

IUPACoxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
SMILESO=C(OCC1CCCCO1)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H25NO4/c18-15(12-6-7-12)17-8-3-4-13(10-17)16(19)21-11-14-5-1-2-9-20-14/h12-14H,1-11H2
InChIKeyGTKSPAVCGDXGQL-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.75
Rot. Bonds4

About oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate

oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate (PubChem CID 60612573) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
PubChem CID60612573
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nameoxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
SMILESO=C(OCC1CCCCO1)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H25NO4/c18-15(12-6-7-12)17-8-3-4-13(10-17)16(19)21-11-14-5-1-2-9-20-14/h12-14H,1-11H2
InChIKeyGTKSPAVCGDXGQL-UHFFFAOYSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 97080553
oxolan-2-ylmethyl piperidine-1-carboxylate
CID 141186129
cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone
CID 129349008
oxan-2-ylmethyl 3-aminocyclohexane-1-carboxylate
CID 55148465
(6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612571
cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612232
oxan-2-ylmethyl (3S)-piperidine-3-carboxylate
CID 81126221
oxan-2-ylmethyl piperidine-3-carboxylate
CID 61279233
methyl (3S)-1-[3-(oxan-2-yl)propanoyl]piperidine-3-carboxylate
CID 78954860
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323805

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The IUPAC name of oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate (CID 60612573) is oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate.
What is the SMILES notation for oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The canonical SMILES for oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate is O=C(OCC1CCCCO1)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The InChIKey is GTKSPAVCGDXGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c18-15(12-6-7-12)17-8-3-4-13(10-17)16(19)21-11-14-5-1-2-9-20-14/h12-14H,1-11H2.
What are the key properties of oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 60612573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).