N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

C19H25N3O4 — CID 120621372

IUPACN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CCNCC1
InChIInChI=1S/C19H25N3O4/c1-26-13-19(8-10-20-11-9-19)18(25)21-15-4-2-14(3-5-15)12-22-16(23)6-7-17(22)24/h2-5,20H,6-13H2,1H3,(H,21,25)
InChIKeyGTJPUORXJPZFQI-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.29
Rot. Bonds6

About N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120621372) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120621372
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CCNCC1
InChIInChI=1S/C19H25N3O4/c1-26-13-19(8-10-20-11-9-19)18(25)21-15-4-2-14(3-5-15)12-22-16(23)6-7-17(22)24/h2-5,20H,6-13H2,1H3,(H,21,25)
InChIKeyGTJPUORXJPZFQI-UHFFFAOYSA-N
XLogP1.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621371
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120623718
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
4-(methoxymethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 120619785
N-[4-(cyclopentyloxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634555
1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 120645895
N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 175264615
N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120621372) is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CCNCC1.
What is the InChIKey of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is GTJPUORXJPZFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-26-13-19(8-10-20-11-9-19)18(25)21-15-4-2-14(3-5-15)12-22-16(23)6-7-17(22)24/h2-5,20H,6-13H2,1H3,(H,21,25).
What are the key properties of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120621372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).