N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

C19H29ClN4O3 — CID 120891040

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cccc(N3CCNC3=O)c2C)CCNCC1.Cl
InChIInChI=1S/C19H28N4O3.ClH/c1-14-15(4-3-5-16(14)23-11-10-21-18(23)25)17(24)22-12-19(13-26-2)6-8-20-9-7-19;/h3-5,20H,6-13H2,1-2H3,(H,21,25)(H,22,24);1H
InChIKeyJEUUQRSRQJXTJE-UHFFFAOYSA-N
MW396.92 g/mol
LogP1.69
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (PubChem CID 120891040) has the molecular formula C19H29ClN4O3 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
PubChem CID120891040
Molecular FormulaC19H29ClN4O3
Molecular Weight396.92 g/mol
Exact Mass396.19
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cccc(N3CCNC3=O)c2C)CCNCC1.Cl
InChIInChI=1S/C19H28N4O3.ClH/c1-14-15(4-3-5-16(14)23-11-10-21-18(23)25)17(24)22-12-19(13-26-2)6-8-20-9-7-19;/h3-5,20H,6-13H2,1-2H3,(H,21,25)(H,22,24);1H
InChIKeyJEUUQRSRQJXTJE-UHFFFAOYSA-N
XLogP1.69
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 120890644
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 120889312
2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888755
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride
CID 120889018
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120892177
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120890519
2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 120890666

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (CID 120891040) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is COCC1(CNC(=O)c2cccc(N3CCNC3=O)c2C)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The InChIKey is JEUUQRSRQJXTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3.ClH/c1-14-15(4-3-5-16(14)23-11-10-21-18(23)25)17(24)22-12-19(13-26-2)6-8-20-9-7-19;/h3-5,20H,6-13H2,1-2H3,(H,21,25)(H,22,24);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 120891040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).