N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide

C20H21N3O2 — CID 1110718

IUPACN-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide
SMILESO=C(NC(=Cc1ccncc1)C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c24-19(17-7-3-1-4-8-17)22-18(15-16-9-11-21-12-10-16)20(25)23-13-5-2-6-14-23/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,24)
InChIKeyGTWVVWUGTPSBFP-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.87
Rot. Bonds4

About N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide

N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide (PubChem CID 1110718) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide
PubChem CID1110718
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide
SMILESO=C(NC(=Cc1ccncc1)C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c24-19(17-7-3-1-4-8-17)22-18(15-16-9-11-21-12-10-16)20(25)23-13-5-2-6-14-23/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,24)
InChIKeyGTWVVWUGTPSBFP-UHFFFAOYSA-N
XLogP2.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-morpholin-4-yl-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 6531421
N-[3-(azepan-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 818818
N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 92982413
N-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 3090292
N-[(Z)-3-oxo-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]benzamide
CID 2274262
N-[1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridine-4-carboxamide
CID 91023383
N-[1-(2-hydroxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 3132884
N-[3-(azepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 1100441
N-[(Z)-3-oxo-3-piperidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 6537272
N-[(Z)-3-oxo-3-pyrrolidin-1-yl-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 7918742
N-[3-(4-hydroxypiperidin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 155011696
N-[(Z)-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylprop-1-en-2-yl]formamide
CID 87634311

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide?
The IUPAC name of N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide (CID 1110718) is N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide.
What is the SMILES notation for N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide?
The canonical SMILES for N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide is O=C(NC(=Cc1ccncc1)C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide?
The InChIKey is GTWVVWUGTPSBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(17-7-3-1-4-8-17)22-18(15-16-9-11-21-12-10-16)20(25)23-13-5-2-6-14-23/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,24).
What are the key properties of N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide?
N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl)benzamide is sourced from PubChem (CID 1110718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).