1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one

C19H27N3O2 — CID 71933552

IUPAC1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one
SMILESCc1ccc(C(C)(C)C(=O)N2CCC(N3CCNC3=O)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-14-4-6-15(7-5-14)19(2,3)17(23)21-11-8-16(9-12-21)22-13-10-20-18(22)24/h4-7,16H,8-13H2,1-3H3,(H,20,24)
InChIKeyCXGMXMSVQQUZOZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.29
Rot. Bonds3

About 1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 71933552) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID71933552
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one
SMILESCc1ccc(C(C)(C)C(=O)N2CCC(N3CCNC3=O)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-14-4-6-15(7-5-14)19(2,3)17(23)21-11-8-16(9-12-21)22-13-10-20-18(22)24/h4-7,16H,8-13H2,1-3H3,(H,20,24)
InChIKeyCXGMXMSVQQUZOZ-UHFFFAOYSA-N
XLogP2.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one
CID 114328233
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119373668
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 113198016
2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 76800407
1-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidin-2-one
CID 155234103
2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110244181
1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56817622
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 113198059
2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one
CID 119539241
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
1-[1-[2-(methylamino)acetyl]piperidin-4-yl]imidazolidin-2-one
CID 54872430
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119662200

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one (CID 71933552) is 1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one is Cc1ccc(C(C)(C)C(=O)N2CCC(N3CCNC3=O)CC2)cc1.
What is the InChIKey of 1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is CXGMXMSVQQUZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-4-6-15(7-5-14)19(2,3)17(23)21-11-8-16(9-12-21)22-13-10-20-18(22)24/h4-7,16H,8-13H2,1-3H3,(H,20,24).
What are the key properties of 1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 71933552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).