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

C34H40N4O3 — CID 56647023

IUPAC4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C34H40N4O3/c35-33(39)27-13-17-31(18-14-27)41-30-15-11-25(12-16-30)23-36-21-19-29(20-22-36)38-32(26-7-3-1-4-8-26)24-37(34(38)40)28-9-5-2-6-10-28/h1,3-4,7-8,11-18,28-29,32H,2,5-6,9-10,19-24H2,(H2,35,39)/t32-/m0/s1
InChIKeyYMWWVNRTXMJCON-YTTGMZPUSA-N
MW552.72 g/mol
LogP6.35
Rot. Bonds8

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

4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzamide (PubChem CID 56647023) has the molecular formula C34H40N4O3 and a molecular weight of 552.72 g/mol. Its IUPAC name is 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzamide
PubChem CID56647023
Molecular FormulaC34H40N4O3
Molecular Weight552.72 g/mol
Exact Mass552.31
IUPAC Name4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C34H40N4O3/c35-33(39)27-13-17-31(18-14-27)41-30-15-11-25(12-16-30)23-36-21-19-29(20-22-36)38-32(26-7-3-1-4-8-26)24-37(34(38)40)28-9-5-2-6-10-28/h1,3-4,7-8,11-18,28-29,32H,2,5-6,9-10,19-24H2,(H2,35,39)/t32-/m0/s1
InChIKeyYMWWVNRTXMJCON-YTTGMZPUSA-N
XLogP6.35
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]benzamide?
The IUPAC name of 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzamide (CID 56647023) is 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzamide is NC(=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]benzamide?
The InChIKey is YMWWVNRTXMJCON-YTTGMZPUSA-N. The full InChI is InChI=1S/C34H40N4O3/c35-33(39)27-13-17-31(18-14-27)41-30-15-11-25(12-16-30)23-36-21-19-29(20-22-36)38-32(26-7-3-1-4-8-26)24-37(34(38)40)28-9-5-2-6-10-28/h1,3-4,7-8,11-18,28-29,32H,2,5-6,9-10,19-24H2,(H2,35,39)/t32-/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]benzamide?
4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzamide has a molecular weight of 552.72 g/mol, XLogP of 6.35, 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]benzamide is sourced from PubChem (CID 56647023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).