4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide

C32H37N5O4 — CID 69493109

IUPAC4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)CC4c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C32H37N5O4/c33-31(38)25-7-9-28(10-8-25)41-30-11-6-23(20-34-30)21-35-16-12-27(13-17-35)37-29(24-4-2-1-3-5-24)22-36(32(37)39)26-14-18-40-19-15-26/h1-11,20,26-27,29H,12-19,21-22H2,(H2,33,38)
InChIKeySCWTYHMYZPXJGP-UHFFFAOYSA-N
MW555.68 g/mol
LogP4.60
Rot. Bonds8

About 4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide

4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide (PubChem CID 69493109) has the molecular formula C32H37N5O4 and a molecular weight of 555.68 g/mol. Its IUPAC name is 4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide
PubChem CID69493109
Molecular FormulaC32H37N5O4
Molecular Weight555.68 g/mol
Exact Mass555.28
IUPAC Name4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)CC4c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C32H37N5O4/c33-31(38)25-7-9-28(10-8-25)41-30-11-6-23(20-34-30)21-35-16-12-27(13-17-35)37-29(24-4-2-1-3-5-24)22-36(32(37)39)26-14-18-40-19-15-26/h1-11,20,26-27,29H,12-19,21-22H2,(H2,33,38)
InChIKeySCWTYHMYZPXJGP-UHFFFAOYSA-N
XLogP4.60
TPSA101.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.68
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-[[4-[5-(3-chlorophenyl)-2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
CID 58835215
4-[[5-[[4-[5-(3-chlorophenyl)-2-oxo-3-(thian-4-yl)imidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
CID 58835055
3-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one
CID 69493143
4-[3-methyl-4-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzoic acid
CID 58835085
2-[4-[[6-methyl-5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]sulfanylacetic acid
CID 69493189
4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide
CID 73346388
4-[[5-[[4-[(5R)-5-(3-chlorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzoic acid
CID 58834906
3-fluoro-4-[[6-methyl-5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
CID 69494049
4-[[6-methyl-5-[[4-[3-(oxan-4-yl)-2-oxo-5-thiophen-3-ylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
CID 58835153
N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide
CID 69493464
methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate
CID 69177833
6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 59730169

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide?
The IUPAC name of 4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide (CID 69493109) is 4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide is NC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)CC4c4ccccc4)CC3)cn2)cc1.
What is the InChIKey of 4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide?
The InChIKey is SCWTYHMYZPXJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4/c33-31(38)25-7-9-28(10-8-25)41-30-11-6-23(20-34-30)21-35-16-12-27(13-17-35)37-29(24-4-2-1-3-5-24)22-36(32(37)39)26-14-18-40-19-15-26/h1-11,20,26-27,29H,12-19,21-22H2,(H2,33,38).
What are the key properties of 4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide?
4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide has a molecular weight of 555.68 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 69493109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).