N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide

C18H24N4O5 — CID 121160487

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1OC
InChIInChI=1S/C18H24N4O5/c1-26-14-4-3-12(9-15(14)27-2)10-19-17(24)21-7-5-13(6-8-21)22-16(23)11-20-18(22)25/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyWAGHHTUKMRCSSF-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.93
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide (PubChem CID 121160487) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
PubChem CID121160487
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1OC
InChIInChI=1S/C18H24N4O5/c1-26-14-4-3-12(9-15(14)27-2)10-19-17(24)21-7-5-13(6-8-21)22-16(23)11-20-18(22)25/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyWAGHHTUKMRCSSF-UHFFFAOYSA-N
XLogP0.93
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 171139192
N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 60570389
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-3-yl)azetidine-1-carboxamide
CID 121155304
N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559688
3-[1-[3-(3-bromo-4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159819
3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160384
N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 38202199
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542
3-[1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159899

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide (CID 121160487) is N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide?
The InChIKey is WAGHHTUKMRCSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-26-14-4-3-12(9-15(14)27-2)10-19-17(24)21-7-5-13(6-8-21)22-16(23)11-20-18(22)25/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121160487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).