ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate

C14H19N3O3 — CID 46578071

IUPACethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)Nc2ccccn2)C1
InChIInChI=1S/C14H19N3O3/c1-2-20-14(19)17-9-5-6-11(10-17)13(18)16-12-7-3-4-8-15-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,15,16,18)
InChIKeyIXJYCALZSSBJKX-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.89
Rot. Bonds3

About ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate

ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate (PubChem CID 46578071) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
PubChem CID46578071
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)Nc2ccccn2)C1
InChIInChI=1S/C14H19N3O3/c1-2-20-14(19)17-9-5-6-11(10-17)13(18)16-12-7-3-4-8-15-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,15,16,18)
InChIKeyIXJYCALZSSBJKX-UHFFFAOYSA-N
XLogP1.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
1-(1-methylpyrrole-2-carbonyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 126799508
(3R)-3-N-cyclohexyl-1-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 95154562
1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 47049140
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443
ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86922889
ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate
CID 97100234
ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 60596637
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
(3R)-1-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 97069270
ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 43057131

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate (CID 46578071) is ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)Nc2ccccn2)C1.
What is the InChIKey of ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is IXJYCALZSSBJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-20-14(19)17-9-5-6-11(10-17)13(18)16-12-7-3-4-8-15-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,15,16,18).
What are the key properties of ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate?
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 46578071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).