ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate

C14H18N2O3 — CID 2303084

IUPACethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)11-5-8-16(9-6-11)13(17)12-4-3-7-15-10-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3
InChIKeyIHUOTJBOWFHOIJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.50
Rot. Bonds3

About ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate

ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 2303084) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
PubChem CID2303084
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)11-5-8-16(9-6-11)13(17)12-4-3-7-15-10-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3
InChIKeyIHUOTJBOWFHOIJ-UHFFFAOYSA-N
XLogP1.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate
CID 3148499
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 1-[5-(2-chlorophenyl)pyridine-3-carbonyl]piperidine-4-carboxylate
CID 46032163
N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113005906
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
ethyl 1-[2-oxo-2-(pyridin-3-ylamino)acetyl]piperidine-4-carboxylate
CID 44902348
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848
ethyl 1-(3-acetyloxybenzoyl)piperidine-4-carboxylate
CID 6457246
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
ethyl 1-[3-(difluoromethoxy)benzoyl]piperidine-4-carboxylate
CID 51072598

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate (CID 2303084) is ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is IHUOTJBOWFHOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-19-14(18)11-5-8-16(9-6-11)13(17)12-4-3-7-15-10-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3.
What are the key properties of ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate?
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 2303084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).