2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide

C23H29ClN6O3 — CID 58896200

IUPAC2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(C(/C=C/c3ccc(Cl)cc3)CN3CCOCC3)CC2)nc1
InChIInChI=1S/C23H29ClN6O3/c24-20-4-1-18(2-5-20)3-6-21(17-28-11-13-33-14-12-28)29-7-9-30(10-8-29)23-25-15-19(16-26-23)22(31)27-32/h1-6,15-16,21,32H,7-14,17H2,(H,27,31)/b6-3+
InChIKeyGSKGXHBTKNHUFJ-ZZXKWVIFSA-N
MW472.98 g/mol
LogP1.79
Rot. Bonds7

About 2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide

2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 58896200) has the molecular formula C23H29ClN6O3 and a molecular weight of 472.98 g/mol. Its IUPAC name is 2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
PubChem CID58896200
Molecular FormulaC23H29ClN6O3
Molecular Weight472.98 g/mol
Exact Mass472.20
IUPAC Name2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(C(/C=C/c3ccc(Cl)cc3)CN3CCOCC3)CC2)nc1
InChIInChI=1S/C23H29ClN6O3/c24-20-4-1-18(2-5-20)3-6-21(17-28-11-13-33-14-12-28)29-7-9-30(10-8-29)23-25-15-19(16-26-23)22(31)27-32/h1-6,15-16,21,32H,7-14,17H2,(H,27,31)/b6-3+
InChIKeyGSKGXHBTKNHUFJ-ZZXKWVIFSA-N
XLogP1.79
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid
CID 76789353
2-[4-[(E)-4-(4-chlorophenyl)-1-hydroxybut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 46225969
ethyl 2-[4-[(E)-1-morpholin-4-yl-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 58450444
2-[4-[(E,2S)-4-cyclohexa-1,5-dien-1-yl-1-hydroxybut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 143172402
ethyl 2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 58450434
N-ethyl-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 143172396
N-hydroxy-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]furan-2-yl]methyl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 10310972
2-[4-(1-hydroxy-4-phenylbut-3-en-2-yl)piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 76789333
N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine
CID 143172366
2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 58896212
2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide
CID 71900151
2-[4-(2-amino-4-phenylbut-3-enyl)piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
CID 74412378

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide (CID 58896200) is 2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCN(C(/C=C/c3ccc(Cl)cc3)CN3CCOCC3)CC2)nc1.
What is the InChIKey of 2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is GSKGXHBTKNHUFJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C23H29ClN6O3/c24-20-4-1-18(2-5-20)3-6-21(17-28-11-13-33-14-12-28)29-7-9-30(10-8-29)23-25-15-19(16-26-23)22(31)27-32/h1-6,15-16,21,32H,7-14,17H2,(H,27,31)/b6-3+.
What are the key properties of 2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 472.98 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-yl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 58896200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).