(4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one

C25H38N4O2 — CID 91058273

IUPAC(4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one
SMILESCC1(N2CCC(N3C(=O)N(C4CCOCC4)C[C@H]3c3ccccc3)CC2)CCNCC1
InChIInChI=1S/C25H38N4O2/c1-25(11-13-26-14-12-25)27-15-7-22(8-16-27)29-23(20-5-3-2-4-6-20)19-28(24(29)30)21-9-17-31-18-10-21/h2-6,21-23,26H,7-19H2,1H3/t23-/m0/s1
InChIKeyLJBMDRKGPVWMJT-QHCPKHFHSA-N
MW426.61 g/mol
LogP3.25
Rot. Bonds4

About (4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one

(4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one (PubChem CID 91058273) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is (4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one
PubChem CID91058273
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name(4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one
SMILESCC1(N2CCC(N3C(=O)N(C4CCOCC4)C[C@H]3c3ccccc3)CC2)CCNCC1
InChIInChI=1S/C25H38N4O2/c1-25(11-13-26-14-12-25)27-15-7-22(8-16-27)29-23(20-5-3-2-4-6-20)19-28(24(29)30)21-9-17-31-18-10-21/h2-6,21-23,26H,7-19H2,1H3/t23-/m0/s1
InChIKeyLJBMDRKGPVWMJT-QHCPKHFHSA-N
XLogP3.25
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one with MolForge

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Related Compounds

(4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one
CID 68877423
1-cyclohexyl-4-phenyl-3-piperidin-4-ylimidazolidin-2-one
CID 69034875
4-(3-fluorophenyl)-1-(oxan-4-yl)-3-piperidin-4-ylimidazolidin-2-one
CID 69108988
3-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one
CID 69493143
4,6-dimethyl-5-[1-(4-methylpiperidin-4-yl)-4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-ium-1-carbonyl]pyridine-2-carbonitrile
CID 87597856
1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one
CID 69494503
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
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
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
3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione
CID 64960844
methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate
CID 69177833

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one?
The IUPAC name of (4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one (CID 91058273) is (4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one?
The canonical SMILES for (4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one is CC1(N2CCC(N3C(=O)N(C4CCOCC4)C[C@H]3c3ccccc3)CC2)CCNCC1.
What is the InChIKey of (4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one?
The InChIKey is LJBMDRKGPVWMJT-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-25(11-13-26-14-12-25)27-15-7-22(8-16-27)29-23(20-5-3-2-4-6-20)19-28(24(29)30)21-9-17-31-18-10-21/h2-6,21-23,26H,7-19H2,1H3/t23-/m0/s1.
What are the key properties of (4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one?
(4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one has a molecular weight of 426.61 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one is sourced from PubChem (CID 91058273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).