ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate

C14H17ClN2O3 — CID 43216980

IUPACethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C14H17ClN2O3/c1-2-20-14(19)10-4-7-17(8-5-10)13(18)12-9-11(15)3-6-16-12/h3,6,9-10H,2,4-5,7-8H2,1H3
InChIKeySWYOHISOWVQHJR-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.15
Rot. Bonds3

About ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate (PubChem CID 43216980) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
PubChem CID43216980
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Nameethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C14H17ClN2O3/c1-2-20-14(19)10-4-7-17(8-5-10)13(18)12-9-11(15)3-6-16-12/h3,6,9-10H,2,4-5,7-8H2,1H3
InChIKeySWYOHISOWVQHJR-UHFFFAOYSA-N
XLogP2.15
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79255884
ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
CID 103803169
ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
CID 78849118
ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate
CID 137147280
2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870387
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
CID 84573349
ethyl 4-(4-chloropyridine-2-carbonyl)thiomorpholine-3-carboxylate
CID 60716375
ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate
CID 105380316
(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 55164875
ethyl 1-[(Z)-3-[(4-chloro-2-pyridinyl)amino]-2-cyanoprop-2-enoyl]piperidine-4-carboxylate
CID 108831307
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
CID 106501349
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate (CID 43216980) is ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(Cl)ccn2)CC1.
What is the InChIKey of ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is SWYOHISOWVQHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-2-20-14(19)10-4-7-17(8-5-10)13(18)12-9-11(15)3-6-16-12/h3,6,9-10H,2,4-5,7-8H2,1H3.
What are the key properties of ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 296.75 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43216980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).