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

C17H22N4O3 — CID 110703367

IUPAC2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)CC3C(=O)NNC3=O)cc2)CC1
InChIInChI=1S/C17H22N4O3/c1-11-6-8-21(9-7-11)13-4-2-12(3-5-13)18-15(22)10-14-16(23)19-20-17(14)24/h2-5,11,14H,6-10H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyLHOMXENRIYOKGF-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.03
Rot. Bonds4

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

2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 110703367) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID110703367
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)CC3C(=O)NNC3=O)cc2)CC1
InChIInChI=1S/C17H22N4O3/c1-11-6-8-21(9-7-11)13-4-2-12(3-5-13)18-15(22)10-14-16(23)19-20-17(14)24/h2-5,11,14H,6-10H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyLHOMXENRIYOKGF-UHFFFAOYSA-N
XLogP1.03
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.03
H-Bond Donors ≤ 53
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-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703578
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-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703357
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696651
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690935
2-(azepan-1-ium-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 9298190
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 110703367) is 2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is CC1CCN(c2ccc(NC(=O)CC3C(=O)NNC3=O)cc2)CC1.
What is the InChIKey of 2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is LHOMXENRIYOKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-6-8-21(9-7-11)13-4-2-12(3-5-13)18-15(22)10-14-16(23)19-20-17(14)24/h2-5,11,14H,6-10H2,1H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of 2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 110703367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).