methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate

C17H28N2O4 — CID 99787569

IUPACmethyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC([C@@H](C)NC(=O)[C@@H]2CC23CCOCC3)CC1
InChIInChI=1S/C17H28N2O4/c1-12(13-3-7-19(8-4-13)16(21)22-2)18-15(20)14-11-17(14)5-9-23-10-6-17/h12-14H,3-11H2,1-2H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyUYADHVWSSLURSP-OCCSQVGLSA-N
MW324.42 g/mol
LogP1.79
Rot. Bonds3

About methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate

methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate (PubChem CID 99787569) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate
PubChem CID99787569
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Namemethyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC([C@@H](C)NC(=O)[C@@H]2CC23CCOCC3)CC1
InChIInChI=1S/C17H28N2O4/c1-12(13-3-7-19(8-4-13)16(21)22-2)18-15(20)14-11-17(14)5-9-23-10-6-17/h12-14H,3-11H2,1-2H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyUYADHVWSSLURSP-OCCSQVGLSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 130684582
N-[(1R)-1-cyclohexylethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 81386078
methyl 4-methylpiperidine-1-carboxylate;4-methyloxane
CID 90741122
methyl morpholine-4-carboxylate
CID 12575354
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
N-[1-(oxan-4-yl)ethyl]morpholine-4-carboxamide
CID 103768181
methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate
CID 71244313
4-methyl-N-[1-(oxan-4-yl)ethyl]piperidine-1-carboxamide
CID 113258503
4-amino-N-(1-cyclopropylethyl)oxane-4-carboxamide
CID 115293707
methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate
CID 112714080
ethyl 4-[1-(but-2-ynoylamino)ethyl]piperidine-1-carboxylate
CID 146083732

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate (CID 99787569) is methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate is COC(=O)N1CCC([C@@H](C)NC(=O)[C@@H]2CC23CCOCC3)CC1.
What is the InChIKey of methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate?
The InChIKey is UYADHVWSSLURSP-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-12(13-3-7-19(8-4-13)16(21)22-2)18-15(20)14-11-17(14)5-9-23-10-6-17/h12-14H,3-11H2,1-2H3,(H,18,20)/t12-,14+/m1/s1.
What are the key properties of methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate?
methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 99787569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).