(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

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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).