methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate

C13H17N3O3 — CID 115538439

IUPACmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ccc(C(N)=O)cn2)C1
InChIInChI=1S/C13H17N3O3/c1-19-13(18)10-3-2-6-16(8-10)11-5-4-9(7-15-11)12(14)17/h4-5,7,10H,2-3,6,8H2,1H3,(H2,14,17)
InChIKeyUMYLTEPDXHPWLD-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.57
Rot. Bonds3

About methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate

methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate (PubChem CID 115538439) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
PubChem CID115538439
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ccc(C(N)=O)cn2)C1
InChIInChI=1S/C13H17N3O3/c1-19-13(18)10-3-2-6-16(8-10)11-5-4-9(7-15-11)12(14)17/h4-5,7,10H,2-3,6,8H2,1H3,(H2,14,17)
InChIKeyUMYLTEPDXHPWLD-UHFFFAOYSA-N
XLogP0.57
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 78999071
1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone
CID 103894520
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
6-(3-aminoazetidin-1-yl)pyridine-3-carboxamide
CID 65250216
ethane;6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
CID 170568898
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid
CID 81048957
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 112627849

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate (CID 115538439) is methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2ccc(C(N)=O)cn2)C1.
What is the InChIKey of methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate?
The InChIKey is UMYLTEPDXHPWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-13(18)10-3-2-6-16(8-10)11-5-4-9(7-15-11)12(14)17/h4-5,7,10H,2-3,6,8H2,1H3,(H2,14,17).
What are the key properties of methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate?
methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate is sourced from PubChem (CID 115538439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).