methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate

C18H28N2O3 — CID 102556462

IUPACmethyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)N2CC3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C18H28N2O3/c1-23-18(22)19-4-2-3-15(11-19)17(21)20-10-14-6-12-5-13(7-14)9-16(20)8-12/h12-16H,2-11H2,1H3
InChIKeyHDCPBTCPEGQNSV-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.50
Rot. Bonds1

About methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate

methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate (PubChem CID 102556462) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate
PubChem CID102556462
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namemethyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)N2CC3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C18H28N2O3/c1-23-18(22)19-4-2-3-15(11-19)17(21)20-10-14-6-12-5-13(7-14)9-16(20)8-12/h12-16H,2-11H2,1H3
InChIKeyHDCPBTCPEGQNSV-UHFFFAOYSA-N
XLogP2.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate with MolForge

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Related Compounds

methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
methyl (3S)-3-[(3S)-3,4-dimethyl-5-oxopiperazine-1-carbonyl]piperidine-1-carboxylate
CID 100740870
methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86860285
2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 166343081
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone
CID 130708819
methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate
CID 110818476
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate (CID 102556462) is methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate is COC(=O)N1CCCC(C(=O)N2CC3CC4CC(C3)CC2C4)C1.
What is the InChIKey of methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate?
The InChIKey is HDCPBTCPEGQNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-23-18(22)19-4-2-3-15(11-19)17(21)20-10-14-6-12-5-13(7-14)9-16(20)8-12/h12-16H,2-11H2,1H3.
What are the key properties of methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate?
methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 102556462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).