2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate

C15H20N2O3 — CID 174725091

IUPAC2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCC(C(=O)c2ccccn2)CC1
InChIInChI=1S/C15H20N2O3/c1-12(18)20-11-10-17-8-5-13(6-9-17)15(19)14-4-2-3-7-16-14/h2-4,7,13H,5-6,8-11H2,1H3
InChIKeyKAGLKVXJJFBOTI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.54
Rot. Bonds5

About 2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate

2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate (PubChem CID 174725091) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate
PubChem CID174725091
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCC(C(=O)c2ccccn2)CC1
InChIInChI=1S/C15H20N2O3/c1-12(18)20-11-10-17-8-5-13(6-9-17)15(19)14-4-2-3-7-16-14/h2-4,7,13H,5-6,8-11H2,1H3
InChIKeyKAGLKVXJJFBOTI-UHFFFAOYSA-N
XLogP1.54
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 87968844
CID 87968844
(3-aminocyclobutyl)-pyridin-2-ylmethanone
CID 116917775
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one
CID 71442189
1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 71649612
4-(pyridine-2-carbonyl)cyclohexan-1-one
CID 116920313
N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide
CID 135216894
[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124852139
2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
CID 57189910
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71643824
[(3S)-1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124757098

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate?
The IUPAC name of 2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate (CID 174725091) is 2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate?
The canonical SMILES for 2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate is CC(=O)OCCN1CCC(C(=O)c2ccccn2)CC1.
What is the InChIKey of 2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate?
The InChIKey is KAGLKVXJJFBOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12(18)20-11-10-17-8-5-13(6-9-17)15(19)14-4-2-3-7-16-14/h2-4,7,13H,5-6,8-11H2,1H3.
What are the key properties of 2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate?
2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate has a molecular weight of 276.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate is sourced from PubChem (CID 174725091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).