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

C19H26ClN3O4 — CID 120621371

IUPACN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CCNCC1.Cl
InChIInChI=1S/C19H25N3O4.ClH/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);1H
InChIKeyJMLFKCWIZHKMOI-UHFFFAOYSA-N
MW395.89 g/mol
LogP1.71
Rot. Bonds6

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

N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120621371) has the molecular formula C19H26ClN3O4 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120621371
Molecular FormulaC19H26ClN3O4
Molecular Weight395.89 g/mol
Exact Mass395.16
IUPAC NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CCNCC1.Cl
InChIInChI=1S/C19H25N3O4.ClH/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);1H
InChIKeyJMLFKCWIZHKMOI-UHFFFAOYSA-N
XLogP1.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 51.71
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
CID 120621372
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120623718
ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616304
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
4-(methoxymethyl)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120631273
N-[4-(cyclopentyloxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634555
4-(methoxymethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 120619785

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120621371) is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CCNCC1.Cl.
What is the InChIKey of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is JMLFKCWIZHKMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4.ClH/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);1H.
What are the key properties of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 395.89 g/mol, XLogP of 1.71, 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;hydrochloride is sourced from PubChem (CID 120621371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).