N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide

C21H21N5O3 — CID 39701776

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)/C=C/c3cnc4ccccc4n3)CC2)no1
InChIInChI=1S/C21H21N5O3/c1-14-12-19(25-29-14)24-21(28)15-8-10-26(11-9-15)20(27)7-6-16-13-22-17-4-2-3-5-18(17)23-16/h2-7,12-13,15H,8-11H2,1H3,(H,24,25,28)/b7-6+
InChIKeyHBGXBVLFHGIMNR-VOTSOKGWSA-N
MW391.43 g/mol
LogP2.82
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 39701776) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID39701776
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)/C=C/c3cnc4ccccc4n3)CC2)no1
InChIInChI=1S/C21H21N5O3/c1-14-12-19(25-29-14)24-21(28)15-8-10-26(11-9-15)20(27)7-6-16-13-22-17-4-2-3-5-18(17)23-16/h2-7,12-13,15H,8-11H2,1H3,(H,24,25,28)/b7-6+
InChIKeyHBGXBVLFHGIMNR-VOTSOKGWSA-N
XLogP2.82
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39702209
1-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55519565
(E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 36511505
1-(2,3-dimethylquinoxaline-6-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 51299844
(Z)-1-[(3R)-3-anilinopyrrolidin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 98499166
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 78784791
N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide
CID 119276056
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 39701534
1-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 30940077
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide (CID 39701776) is N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)/C=C/c3cnc4ccccc4n3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is HBGXBVLFHGIMNR-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14-12-19(25-29-14)24-21(28)15-8-10-26(11-9-15)20(27)7-6-16-13-22-17-4-2-3-5-18(17)23-16/h2-7,12-13,15H,8-11H2,1H3,(H,24,25,28)/b7-6+.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 39701776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).