ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate

C15H22N2O2 — CID 169213809

IUPACethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(c2cncc(CC)c2)C1
InChIInChI=1S/C15H22N2O2/c1-3-12-8-14(10-16-9-12)17-7-5-6-13(11-17)15(18)19-4-2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1
InChIKeyWNTSNQQQQGYUDN-ZDUSSCGKSA-N
MW262.35 g/mol
LogP2.42
Rot. Bonds4

About ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate

ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate (PubChem CID 169213809) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate
PubChem CID169213809
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(c2cncc(CC)c2)C1
InChIInChI=1S/C15H22N2O2/c1-3-12-8-14(10-16-9-12)17-7-5-6-13(11-17)15(18)19-4-2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1
InChIKeyWNTSNQQQQGYUDN-ZDUSSCGKSA-N
XLogP2.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate
CID 83970370
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxylate
CID 91654996
ethyl 1-(3-acetyl-5-chlorophenyl)piperidine-3-carboxylate
CID 110453041
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
ethyl 1-(4-acetylphenyl)piperidine-3-carboxylate
CID 43176930
ethyl (3R)-1-(4,5-dichloropyrimidin-2-yl)piperidine-3-carboxylate
CID 135137910
ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate
CID 99636618
ethyl 1-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 95115378
ethyl (3S)-1-[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-1-ynyl]-3-pyridinyl]piperidine-3-carboxylate
CID 169214641
[2-(3-ethoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
CID 142400989
ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate
CID 82537653

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate (CID 169213809) is ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(c2cncc(CC)c2)C1.
What is the InChIKey of ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate?
The InChIKey is WNTSNQQQQGYUDN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12-8-14(10-16-9-12)17-7-5-6-13(11-17)15(18)19-4-2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1.
What are the key properties of ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate?
ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate is sourced from PubChem (CID 169213809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).