1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one

C27H30N4O3 — CID 69113409

IUPAC1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one
SMILESCc1nc(Oc2ccc(O)cc2)ccc1CN1CCC(N2C(=O)NCC2c2ccccc2)CC1
InChIInChI=1S/C27H30N4O3/c1-19-21(7-12-26(29-19)34-24-10-8-23(32)9-11-24)18-30-15-13-22(14-16-30)31-25(17-28-27(31)33)20-5-3-2-4-6-20/h2-12,22,25,32H,13-18H2,1H3,(H,28,33)
InChIKeyBNTAOOOOEGREFC-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.62
Rot. Bonds6

About 1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one

1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one (PubChem CID 69113409) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one
PubChem CID69113409
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one
SMILESCc1nc(Oc2ccc(O)cc2)ccc1CN1CCC(N2C(=O)NCC2c2ccccc2)CC1
InChIInChI=1S/C27H30N4O3/c1-19-21(7-12-26(29-19)34-24-10-8-23(32)9-11-24)18-30-15-13-22(14-16-30)31-25(17-28-27(31)33)20-5-3-2-4-6-20/h2-12,22,25,32H,13-18H2,1H3,(H,28,33)
InChIKeyBNTAOOOOEGREFC-UHFFFAOYSA-N
XLogP4.62
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one?
The IUPAC name of 1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one (CID 69113409) is 1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one?
The canonical SMILES for 1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one is Cc1nc(Oc2ccc(O)cc2)ccc1CN1CCC(N2C(=O)NCC2c2ccccc2)CC1.
What is the InChIKey of 1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one?
The InChIKey is BNTAOOOOEGREFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-19-21(7-12-26(29-19)34-24-10-8-23(32)9-11-24)18-30-15-13-22(14-16-30)31-25(17-28-27(31)33)20-5-3-2-4-6-20/h2-12,22,25,32H,13-18H2,1H3,(H,28,33).
What are the key properties of 1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one?
1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one has a molecular weight of 458.56 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one is sourced from PubChem (CID 69113409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).