1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one

C18H21N3O2 — CID 138670155

IUPAC1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/C1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H21N3O2/c22-17-6-2-4-12-21(17)18(23)8-7-15-9-13-20(14-10-15)16-5-1-3-11-19-16/h1-3,5-8,11,15H,4,9-10,12-14H2/b8-7+
InChIKeySCQNXQUNSQUUEQ-BQYQJAHWSA-N
MW311.38 g/mol
LogP2.17
Rot. Bonds3

About 1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one

1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 138670155) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID138670155
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/C1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H21N3O2/c22-17-6-2-4-12-21(17)18(23)8-7-15-9-13-20(14-10-15)16-5-1-3-11-19-16/h1-3,5-8,11,15H,4,9-10,12-14H2/b8-7+
InChIKeySCQNXQUNSQUUEQ-BQYQJAHWSA-N
XLogP2.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-(1-pyrimidin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 138634683
1-(3-pyridin-2-ylprop-2-enoyl)-3,4-dihydro-2H-azepin-7-one
CID 155645991
1-(3-pyridazin-3-ylprop-2-enoyl)-2,3-dihydropyridin-6-one
CID 155338510
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide
CID 134430978
N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108912309
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42961571
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
CID 71993309
1-pyridin-2-ylpiperidine-3-carbaldehyde
CID 62664160
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one (CID 138670155) is 1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one is O=C1C=CCCN1C(=O)/C=C/C1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is SCQNXQUNSQUUEQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-6-2-4-12-21(17)18(23)8-7-15-9-13-20(14-10-15)16-5-1-3-11-19-16/h1-3,5-8,11,15H,4,9-10,12-14H2/b8-7+.
What are the key properties of 1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 311.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(1-pyridin-2-ylpiperidin-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 138670155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).