N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide

C20H28N4O4 — CID 70049103

IUPACN-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide
SMILESCOC1CN(CCCC2(C)NC(=O)NC2=O)CCC1NC(=O)c1ccccc1
InChIInChI=1S/C20H28N4O4/c1-20(18(26)22-19(27)23-20)10-6-11-24-12-9-15(16(13-24)28-2)21-17(25)14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13H2,1-2H3,(H,21,25)(H2,22,23,26,27)
InChIKeyXSSPSCKGYZMLEQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.88
Rot. Bonds7

About N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide

N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide (PubChem CID 70049103) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide
PubChem CID70049103
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide
SMILESCOC1CN(CCCC2(C)NC(=O)NC2=O)CCC1NC(=O)c1ccccc1
InChIInChI=1S/C20H28N4O4/c1-20(18(26)22-19(27)23-20)10-6-11-24-12-9-15(16(13-24)28-2)21-17(25)14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13H2,1-2H3,(H,21,25)(H2,22,23,26,27)
InChIKeyXSSPSCKGYZMLEQ-UHFFFAOYSA-N
XLogP0.88
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-2-methoxy-N-[(3S,4R)-3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide
CID 15078544
N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide
CID 19883436
N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]benzamide
CID 54534798
N-[3-methoxy-1-(3-pyrimidin-2-ylsulfanylpropyl)piperidin-4-yl]benzamide;hydrate
CID 23166466
N-[3-methoxy-1-(4-pyrimidin-2-ylsulfanylbutyl)piperidin-4-yl]benzamide;hydrate
CID 67834129
[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid
CID 68520665
N-[1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidin-4-yl]benzamide
CID 59794376
N-[(3S,4S)-1-[4,4-bis(4-fluorophenyl)butyl]-3-methoxypiperidin-4-yl]-3,4,5-trimethoxybenzamide;hydrate;hydrochloride
CID 67914589
2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide
CID 70049058
4-[3-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]propyl]benzoic acid
CID 69137037
5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide
CID 15078525
N-[3-methoxy-1-[3-[(4-methoxypyrimidin-2-yl)amino]propyl]piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-7-carboxamide;dihydrochloride
CID 67563333

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide (CID 70049103) is N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide is COC1CN(CCCC2(C)NC(=O)NC2=O)CCC1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide?
The InChIKey is XSSPSCKGYZMLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-20(18(26)22-19(27)23-20)10-6-11-24-12-9-15(16(13-24)28-2)21-17(25)14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13H2,1-2H3,(H,21,25)(H2,22,23,26,27).
What are the key properties of N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide?
N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 70049103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).