N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide

C26H26N4O3 — CID 67014900

IUPACN,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccc(C(=O)C=Cc3cnc4ccccc4n3)cc2)CC1
InChIInChI=1S/C26H26N4O3/c1-29(2)25(32)20-13-15-30(16-14-20)26(33)19-9-7-18(8-10-19)24(31)12-11-21-17-27-22-5-3-4-6-23(22)28-21/h3-12,17,20H,13-16H2,1-2H3
InChIKeyISWWNUSNCJHGMC-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.47
Rot. Bonds5

About N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide

N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide (PubChem CID 67014900) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide
PubChem CID67014900
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccc(C(=O)C=Cc3cnc4ccccc4n3)cc2)CC1
InChIInChI=1S/C26H26N4O3/c1-29(2)25(32)20-13-15-30(16-14-20)26(33)19-9-7-18(8-10-19)24(31)12-11-21-17-27-22-5-3-4-6-23(22)28-21/h3-12,17,20H,13-16H2,1-2H3
InChIKeyISWWNUSNCJHGMC-UHFFFAOYSA-N
XLogP3.47
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[4-(4-hydroxyiminopiperidine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 11531426
1-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 67013230
1-[4-(3-quinolin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxylic acid
CID 67013380
(E)-1-[4-[3-(dimethylamino)pyrazole-1-carbonyl]phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 11560333
1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 84906464
N,N-dimethyl-2-[4-[(E)-3-quinoxalin-2-ylprop-2-enoyl]phenoxy]acetamide
CID 9033770
(E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
CID 11595580
(E)-1-[4-(4-acetylpiperazine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
CID 11718577
(E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 36511505
N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide
CID 39701776
1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 71903618
(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 33014689

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide (CID 67014900) is N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)c2ccc(C(=O)C=Cc3cnc4ccccc4n3)cc2)CC1.
What is the InChIKey of N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is ISWWNUSNCJHGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-29(2)25(32)20-13-15-30(16-14-20)26(33)19-9-7-18(8-10-19)24(31)12-11-21-17-27-22-5-3-4-6-23(22)28-21/h3-12,17,20H,13-16H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide?
N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 67014900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).