4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide

C18H23N3O3 — CID 120553759

IUPAC4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide
SMILESCC1CNCCC1NC(=O)c1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C18H23N3O3/c1-11-10-19-7-6-15(11)20-17(23)13-4-2-12(3-5-13)8-14-9-16(22)21-18(14)24/h2-5,11,14-15,19H,6-10H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyWMRYULJRBLWBDP-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.62
Rot. Bonds4

About 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide

4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide (PubChem CID 120553759) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide
PubChem CID120553759
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide
SMILESCC1CNCCC1NC(=O)c1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C18H23N3O3/c1-11-10-19-7-6-15(11)20-17(23)13-4-2-12(3-5-13)8-14-9-16(22)21-18(14)24/h2-5,11,14-15,19H,6-10H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyWMRYULJRBLWBDP-UHFFFAOYSA-N
XLogP0.62
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide
CID 120557775
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
CID 120556672
4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553316
N-(3-methylpiperidin-4-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 120556230
4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557633
4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120554586
N-[2-(cycloheptylamino)ethyl]-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 119620286
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 119607207

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide (CID 120553759) is 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide is CC1CNCCC1NC(=O)c1ccc(CC2CC(=O)NC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide?
The InChIKey is WMRYULJRBLWBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-10-19-7-6-15(11)20-17(23)13-4-2-12(3-5-13)8-14-9-16(22)21-18(14)24/h2-5,11,14-15,19H,6-10H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide?
4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide has a molecular weight of 329.40 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120553759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).