2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

C18H24N4O3 — CID 110703578

IUPAC2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)CC3C(=O)NN(C)C3=O)cc2)CC1
InChIInChI=1S/C18H24N4O3/c1-12-7-9-22(10-8-12)14-5-3-13(4-6-14)19-16(23)11-15-17(24)20-21(2)18(15)25/h3-6,12,15H,7-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyIJTQPSMTNPTLER-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.37
Rot. Bonds4

About 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 110703578) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID110703578
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)CC3C(=O)NN(C)C3=O)cc2)CC1
InChIInChI=1S/C18H24N4O3/c1-12-7-9-22(10-8-12)14-5-3-13(4-6-14)19-16(23)11-15-17(24)20-21(2)18(15)25/h3-6,12,15H,7-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyIJTQPSMTNPTLER-UHFFFAOYSA-N
XLogP1.37
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703367
N-(4-bromophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703549
2-(2,5-dioxoimidazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110698550
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696651
N-(3,5-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703522
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 9201016
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
N-(4-bromo-3-methylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703591
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 51207767
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione
CID 110703473

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 110703578) is 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is CC1CCN(c2ccc(NC(=O)CC3C(=O)NN(C)C3=O)cc2)CC1.
What is the InChIKey of 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is IJTQPSMTNPTLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-7-9-22(10-8-12)14-5-3-13(4-6-14)19-16(23)11-15-17(24)20-21(2)18(15)25/h3-6,12,15H,7-11H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 110703578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).