2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid

C15H20N2O3 — CID 162812465

IUPAC2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid
SMILESCC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)O
InChIInChI=1S/C15H20N2O3/c1-2-11-10-17(7-5-12(11)8-14(18)19)15(20)13-4-3-6-16-9-13/h3-4,6,9,11-12H,2,5,7-8,10H2,1H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyAUVYTXHWZSUSFY-NEPJUHHUSA-N
MW276.34 g/mol
LogP2.04
Rot. Bonds4

About 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid

2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 162812465) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid
PubChem CID162812465
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid
SMILESCC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)O
InChIInChI=1S/C15H20N2O3/c1-2-11-10-17(7-5-12(11)8-14(18)19)15(20)13-4-3-6-16-9-13/h3-4,6,9,11-12H,2,5,7-8,10H2,1H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyAUVYTXHWZSUSFY-NEPJUHHUSA-N
XLogP2.04
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide
CID 74736422
2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 162806846
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
2-(1-benzoyl-3-ethylpiperidin-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 73148945
2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371830
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
N-[(3S,4R)-1-(5-bromopyridine-3-carbonyl)-3-(hydroxymethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 91915981
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
2-[1-benzoyl-3-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl]acetic acid
CID 74576720
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid (CID 162812465) is 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid is CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)O.
What is the InChIKey of 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is AUVYTXHWZSUSFY-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-11-10-17(7-5-12(11)8-14(18)19)15(20)13-4-3-6-16-9-13/h3-4,6,9,11-12H,2,5,7-8,10H2,1H3,(H,18,19)/t11-,12+/m1/s1.
What are the key properties of 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid?
2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 162812465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).