4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide

C35H42N4O3 — CID 73346388

IUPAC4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C35H42N4O3/c1-36-34(40)28-14-18-32(19-15-28)42-31-16-12-26(13-17-31)24-37-22-20-30(21-23-37)39-33(27-8-4-2-5-9-27)25-38(35(39)41)29-10-6-3-7-11-29/h2,4-5,8-9,12-19,29-30,33H,3,6-7,10-11,20-25H2,1H3,(H,36,40)/t33-/m0/s1
InChIKeyUYTYPQVLRVEZRK-XIFFEERXSA-N
MW566.75 g/mol
LogP6.61
Rot. Bonds8

About 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide

4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide (PubChem CID 73346388) has the molecular formula C35H42N4O3 and a molecular weight of 566.75 g/mol. Its IUPAC name is 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide
PubChem CID73346388
Molecular FormulaC35H42N4O3
Molecular Weight566.75 g/mol
Exact Mass566.33
IUPAC Name4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C35H42N4O3/c1-36-34(40)28-14-18-32(19-15-28)42-31-16-12-26(13-17-31)24-37-22-20-30(21-23-37)39-33(27-8-4-2-5-9-27)25-38(35(39)41)29-10-6-3-7-11-29/h2,4-5,8-9,12-19,29-30,33H,3,6-7,10-11,20-25H2,1H3,(H,36,40)/t33-/m0/s1
InChIKeyUYTYPQVLRVEZRK-XIFFEERXSA-N
XLogP6.61
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate
CID 69177833
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
4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide
CID 69493109
4-[5-[[4-(3-cyclopentyl-2-oxo-5-thiophen-3-ylimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidin-2-yl]oxybenzoic acid
CID 69494238
3-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one
CID 69493143
1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one
CID 69494420
4-[[5-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-4-methylpyrimidin-2-yl]amino]benzoic acid
CID 69494583
N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide
CID 95176105
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
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-[(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
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide?
The IUPAC name of 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide (CID 73346388) is 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide.
What is the SMILES notation for 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide?
The canonical SMILES for 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide is CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide?
The InChIKey is UYTYPQVLRVEZRK-XIFFEERXSA-N. The full InChI is InChI=1S/C35H42N4O3/c1-36-34(40)28-14-18-32(19-15-28)42-31-16-12-26(13-17-31)24-37-22-20-30(21-23-37)39-33(27-8-4-2-5-9-27)25-38(35(39)41)29-10-6-3-7-11-29/h2,4-5,8-9,12-19,29-30,33H,3,6-7,10-11,20-25H2,1H3,(H,36,40)/t33-/m0/s1.
What are the key properties of 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide?
4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide has a molecular weight of 566.75 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide is sourced from PubChem (CID 73346388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).