oxetan-3-yl 3-methylpiperidine-3-carboxylate

C10H17NO3 — CID 102606693

IUPACoxetan-3-yl 3-methylpiperidine-3-carboxylate
SMILESCC1(C(=O)OC2COC2)CCCNC1
InChIInChI=1S/C10H17NO3/c1-10(3-2-4-11-7-10)9(12)14-8-5-13-6-8/h8,11H,2-7H2,1H3
InChIKeyNGCAOOSGIWXGFM-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.32
Rot. Bonds2

About oxetan-3-yl 3-methylpiperidine-3-carboxylate

oxetan-3-yl 3-methylpiperidine-3-carboxylate (PubChem CID 102606693) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is oxetan-3-yl 3-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 3-methylpiperidine-3-carboxylate
PubChem CID102606693
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameoxetan-3-yl 3-methylpiperidine-3-carboxylate
SMILESCC1(C(=O)OC2COC2)CCCNC1
InChIInChI=1S/C10H17NO3/c1-10(3-2-4-11-7-10)9(12)14-8-5-13-6-8/h8,11H,2-7H2,1H3
InChIKeyNGCAOOSGIWXGFM-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxetan-3-yl 3-methylpyrrolidine-3-carboxylate
CID 102606737
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
cyclopropylmethyl 3-methylpiperidine-3-carboxylate
CID 63134595
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
oxolan-3-yl 3-propylpiperidine-3-carboxylate
CID 55212942
4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240131
(3-methylmorpholin-4-yl)-(3-methylpiperidin-3-yl)methanone
CID 63130450
4-[methyl-(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66235604
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate
CID 104563034
3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 63130240

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 3-methylpiperidine-3-carboxylate?
The IUPAC name of oxetan-3-yl 3-methylpiperidine-3-carboxylate (CID 102606693) is oxetan-3-yl 3-methylpiperidine-3-carboxylate.
What is the SMILES notation for oxetan-3-yl 3-methylpiperidine-3-carboxylate?
The canonical SMILES for oxetan-3-yl 3-methylpiperidine-3-carboxylate is CC1(C(=O)OC2COC2)CCCNC1.
What is the InChIKey of oxetan-3-yl 3-methylpiperidine-3-carboxylate?
The InChIKey is NGCAOOSGIWXGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(3-2-4-11-7-10)9(12)14-8-5-13-6-8/h8,11H,2-7H2,1H3.
What are the key properties of oxetan-3-yl 3-methylpiperidine-3-carboxylate?
oxetan-3-yl 3-methylpiperidine-3-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 3-methylpiperidine-3-carboxylate is sourced from PubChem (CID 102606693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).