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

C14H18N2O3 — CID 81344217

IUPACethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)12-4-3-9-16(10-12)13(17)11-5-7-15-8-6-11/h5-8,12H,2-4,9-10H2,1H3/t12-/m1/s1
InChIKeyGFCLOUMRPQZVKL-GFCCVEGCSA-N
MW262.31 g/mol
LogP1.50
Rot. Bonds3

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

ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate (PubChem CID 81344217) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
PubChem CID81344217
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C14H18N2O3/c1-2-19-14(18)12-4-3-9-16(10-12)13(17)11-5-7-15-8-6-11/h5-8,12H,2-4,9-10H2,1H3/t12-/m1/s1
InChIKeyGFCLOUMRPQZVKL-GFCCVEGCSA-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

ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
CID 103873858
ethyl 1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxylate
CID 46524573
ethyl (3R)-1-(4-acetyloxybenzoyl)piperidine-3-carboxylate
CID 670738
ethyl (3S)-1-(4-pyrrol-1-ylbenzoyl)piperidine-3-carboxylate
CID 51925940
ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
CID 81344391
ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
CID 43404461

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate (CID 81344217) is ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is GFCLOUMRPQZVKL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-19-14(18)12-4-3-9-16(10-12)13(17)11-5-7-15-8-6-11/h5-8,12H,2-4,9-10H2,1H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate?
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-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 (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 81344217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).