ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate

C14H17ClN2O3 — CID 103873858

IUPACethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2cnccc2Cl)C1
InChIInChI=1S/C14H17ClN2O3/c1-2-20-14(19)10-4-3-7-17(9-10)13(18)11-8-16-6-5-12(11)15/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m0/s1
InChIKeyAORSGFYJZUHBJD-JTQLQIEISA-N
MW296.75 g/mol
LogP2.15
Rot. Bonds3

About ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate

ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 103873858) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
PubChem CID103873858
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Nameethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2cnccc2Cl)C1
InChIInChI=1S/C14H17ClN2O3/c1-2-20-14(19)10-4-3-7-17(9-10)13(18)11-8-16-6-5-12(11)15/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m0/s1
InChIKeyAORSGFYJZUHBJD-JTQLQIEISA-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 (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676
ethyl (3S)-1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylate
CID 81338377
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
CID 60859036
ethyl 1-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxylate
CID 46139157
ethyl (3S)-1-(4-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 103876654
ethyl (3S)-1-(2-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 81338267
ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate
CID 61377643
ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-3-carboxylate
CID 80642246
ethyl (3R)-1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 81338802

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate (CID 103873858) is ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)c2cnccc2Cl)C1.
What is the InChIKey of ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is AORSGFYJZUHBJD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-2-20-14(19)10-4-3-7-17(9-10)13(18)11-8-16-6-5-12(11)15/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m0/s1.
What are the key properties of ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-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 (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 103873858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).