1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one

C17H23N3O3 — CID 70761074

IUPAC1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
SMILESCOC1CCCN(C(=O)c2ccc(C)c(N3CCNC3=O)c2)C1
InChIInChI=1S/C17H23N3O3/c1-12-5-6-13(10-15(12)20-9-7-18-17(20)22)16(21)19-8-3-4-14(11-19)23-2/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,18,22)
InChIKeyKFHMDTMWSYJOMP-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.78
Rot. Bonds3

About 1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one

1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one (PubChem CID 70761074) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
PubChem CID70761074
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
SMILESCOC1CCCN(C(=O)c2ccc(C)c(N3CCNC3=O)c2)C1
InChIInChI=1S/C17H23N3O3/c1-12-5-6-13(10-15(12)20-9-7-18-17(20)22)16(21)19-8-3-4-14(11-19)23-2/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,18,22)
InChIKeyKFHMDTMWSYJOMP-UHFFFAOYSA-N
XLogP1.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(3R)-3-methoxypiperidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 97141117
1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97127410
(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 97206305
1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70761450
1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70756934
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
CID 156606116
1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 72910098
1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one
CID 56875042
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 157016998

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one?
The IUPAC name of 1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one (CID 70761074) is 1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one is COC1CCCN(C(=O)c2ccc(C)c(N3CCNC3=O)c2)C1.
What is the InChIKey of 1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one?
The InChIKey is KFHMDTMWSYJOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-5-6-13(10-15(12)20-9-7-18-17(20)22)16(21)19-8-3-4-14(11-19)23-2/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,18,22).
What are the key properties of 1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one?
1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one is sourced from PubChem (CID 70761074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).