ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate

C15H20N2O3 — CID 115535618

IUPACethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)13-4-3-9-17(11-13)14(18)10-12-5-7-16-8-6-12/h5-8,13H,2-4,9-11H2,1H3/t13-/m0/s1
InChIKeyDVWVELQMKHHHHZ-ZDUSSCGKSA-N
MW276.34 g/mol
LogP1.43
Rot. Bonds4

About ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate

ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate (PubChem CID 115535618) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
PubChem CID115535618
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)13-4-3-9-17(11-13)14(18)10-12-5-7-16-8-6-12/h5-8,13H,2-4,9-11H2,1H3/t13-/m0/s1
InChIKeyDVWVELQMKHHHHZ-ZDUSSCGKSA-N
XLogP1.43
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 61297761
ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
CID 84577392
ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate
CID 110690844
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
ethyl (3S)-1-[2-[4-[benzyl(propanoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329378
ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
CID 103873858
ethyl (3S)-1-[2-[4-[benzyl(cyclopentanecarbonyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329381

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate (CID 115535618) is ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccncc2)C1.
What is the InChIKey of ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate?
The InChIKey is DVWVELQMKHHHHZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-15(19)13-4-3-9-17(11-13)14(18)10-12-5-7-16-8-6-12/h5-8,13H,2-4,9-11H2,1H3/t13-/m0/s1.
What are the key properties of ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate?
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 115535618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).