methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate

C15H22N4O3 — CID 71880256

IUPACmethyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC(=O)NCc2cccc(C)n2)C1
InChIInChI=1S/C15H22N4O3/c1-11-5-3-6-12(17-11)9-16-14(20)18-13-7-4-8-19(10-13)15(21)22-2/h3,5-6,13H,4,7-10H2,1-2H3,(H2,16,18,20)
InChIKeySYHLYUSBHYIEGZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.42
Rot. Bonds3

About methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate

methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate (PubChem CID 71880256) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate
PubChem CID71880256
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Namemethyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC(=O)NCc2cccc(C)n2)C1
InChIInChI=1S/C15H22N4O3/c1-11-5-3-6-12(17-11)9-16-14(20)18-13-7-4-8-19(10-13)15(21)22-2/h3,5-6,13H,4,7-10H2,1-2H3,(H2,16,18,20)
InChIKeySYHLYUSBHYIEGZ-UHFFFAOYSA-N
XLogP1.42
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate (CID 71880256) is methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate is COC(=O)N1CCCC(NC(=O)NCc2cccc(C)n2)C1.
What is the InChIKey of methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate?
The InChIKey is SYHLYUSBHYIEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-5-3-6-12(17-11)9-16-14(20)18-13-7-4-8-19(10-13)15(21)22-2/h3,5-6,13H,4,7-10H2,1-2H3,(H2,16,18,20).
What are the key properties of methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate?
methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 71880256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).