1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one

C14H16N2O2 — CID 152798944

IUPAC1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H16N2O2/c1-2-13(17)16-8-5-11(6-9-16)14(18)12-4-3-7-15-10-12/h2-4,7,10-11H,1,5-6,8-9H2
InChIKeySMZNDUGSNUXURU-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.69
Rot. Bonds3

About 1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one

1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one (PubChem CID 152798944) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one
PubChem CID152798944
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H16N2O2/c1-2-13(17)16-8-5-11(6-9-16)14(18)12-4-3-7-15-10-12/h2-4,7,10-11H,1,5-6,8-9H2
InChIKeySMZNDUGSNUXURU-UHFFFAOYSA-N
XLogP1.69
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-pyridin-3-ylmethanone;oxalic acid
CID 71817330
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone
CID 164649275
(3-methylcyclopentyl)-pyridin-3-ylmethanone
CID 65402744
(E)-3-cyclopentyl-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 108924523
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
CID 43170452
1-(3-pyridin-3-ylprop-2-enoyl)piperidine-4-carboxylic acid
CID 74865282
phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 166411037
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one (CID 152798944) is 1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(C(=O)c2cccnc2)CC1.
What is the InChIKey of 1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is SMZNDUGSNUXURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-13(17)16-8-5-11(6-9-16)14(18)12-4-3-7-15-10-12/h2-4,7,10-11H,1,5-6,8-9H2.
What are the key properties of 1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one?
1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 244.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 152798944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).