methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate

C16H23NO3 — CID 103760898

IUPACmethyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)C2C3C4CCC(C4)C23)C1
InChIInChI=1S/C16H23NO3/c1-20-16(19)11-3-2-6-17(8-11)15(18)14-12-9-4-5-10(7-9)13(12)14/h9-14H,2-8H2,1H3/t9?,10?,11-,12?,13?,14?/m0/s1
InChIKeyFMORNIZVDPXTMP-FZLVIXCJSA-N
MW277.36 g/mol
LogP1.69
Rot. Bonds2

About methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate

methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate (PubChem CID 103760898) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate
PubChem CID103760898
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)C2C3C4CCC(C4)C23)C1
InChIInChI=1S/C16H23NO3/c1-20-16(19)11-3-2-6-17(8-11)15(18)14-12-9-4-5-10(7-9)13(12)14/h9-14H,2-8H2,1H3/t9?,10?,11-,12?,13?,14?/m0/s1
InChIKeyFMORNIZVDPXTMP-FZLVIXCJSA-N
XLogP1.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate with MolForge

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Related Compounds

(3-hydroxypiperidin-1-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 113256799
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate
CID 78919120
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
[3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119595332
methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate
CID 81004933
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate
CID 103430283
methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
CID 112531649
methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate
CID 124508484
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 103761920

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate (CID 103760898) is methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)C2C3C4CCC(C4)C23)C1.
What is the InChIKey of methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is FMORNIZVDPXTMP-FZLVIXCJSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-16(19)11-3-2-6-17(8-11)15(18)14-12-9-4-5-10(7-9)13(12)14/h9-14H,2-8H2,1H3/t9?,10?,11-,12?,13?,14?/m0/s1.
What are the key properties of methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate?
methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 103760898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).