methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate

C14H25N3O2 — CID 119131056

IUPACmethyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate
SMILESC/N=C(/NC1CC1(C)C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C14H25N3O2/c1-14(2)9-11(14)16-13(15-3)17-7-5-10(6-8-17)12(18)19-4/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyLGEDGMJLBVNMRQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.25
Rot. Bonds2

About methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate

methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate (PubChem CID 119131056) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate
PubChem CID119131056
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Namemethyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate
SMILESC/N=C(/NC1CC1(C)C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C14H25N3O2/c1-14(2)9-11(14)16-13(15-3)17-7-5-10(6-8-17)12(18)19-4/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyLGEDGMJLBVNMRQ-UHFFFAOYSA-N
XLogP1.25
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[N'-methyl-N-(2-methylcyclopropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111254125
ethyl 1-[N-(2,2-dimethylcyclopropyl)-N'-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 119130245
methyl 1-(N'-methyl-N-prop-2-ynylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide
CID 111253226
methyl 1-[N-(1-adamantylmethyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252570
methyl 1-[N'-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]piperidine-4-carboxylate
CID 119131162
methyl 1-[N-(2-bromoprop-2-enyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 119131156
methyl 1-[N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 119131071
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111756780
4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide
CID 119161399
methyl 1-[N'-methyl-N-(4-pyrrolidin-1-ylbutyl)carbamimidoyl]piperidine-4-carboxylate
CID 111252477
methyl 1-(N'-methyl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylcarbamimidoyl)piperidine-4-carboxylate;hydroiodide
CID 109401886
methyl 1-[N'-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254688

Frequently Asked Questions

What is the IUPAC name of methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate (CID 119131056) is methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate is C/N=C(/NC1CC1(C)C)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate?
The InChIKey is LGEDGMJLBVNMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2)9-11(14)16-13(15-3)17-7-5-10(6-8-17)12(18)19-4/h10-11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate?
methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate is sourced from PubChem (CID 119131056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).