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

C16H23N3O2 — CID 134789230

IUPAC1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESCOc1ccc(CN2CCC(N3CCNC3=O)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-21-15-4-2-13(3-5-15)12-18-9-6-14(7-10-18)19-11-8-17-16(19)20/h2-5,14H,6-12H2,1H3,(H,17,20)
InChIKeyHGAIPRMVVDFRPV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.68
Rot. Bonds4

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

1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 134789230) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID134789230
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESCOc1ccc(CN2CCC(N3CCNC3=O)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-21-15-4-2-13(3-5-15)12-18-9-6-14(7-10-18)19-11-8-17-16(19)20/h2-5,14H,6-12H2,1H3,(H,17,20)
InChIKeyHGAIPRMVVDFRPV-UHFFFAOYSA-N
XLogP1.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one (CID 134789230) is 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one is COc1ccc(CN2CCC(N3CCNC3=O)CC2)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is HGAIPRMVVDFRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-15-4-2-13(3-5-15)12-18-9-6-14(7-10-18)19-11-8-17-16(19)20/h2-5,14H,6-12H2,1H3,(H,17,20).
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 134789230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).