1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione

C24H30N4O2 — CID 46220218

IUPAC1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O
InChIInChI=1S/C24H30N4O2/c1-18(2)28-23(29)17-27(24(28)30)15-19-9-11-20(12-10-19)22-8-6-7-21(25-22)16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3
InChIKeyDYKRHEJETZMCMN-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.91
Rot. Bonds6

About 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione

1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione (PubChem CID 46220218) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione
PubChem CID46220218
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O
InChIInChI=1S/C24H30N4O2/c1-18(2)28-23(29)17-27(24(28)30)15-19-9-11-20(12-10-19)22-8-6-7-21(25-22)16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3
InChIKeyDYKRHEJETZMCMN-UHFFFAOYSA-N
XLogP3.91
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione (CID 46220218) is 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione is CC(C)N1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O.
What is the InChIKey of 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is DYKRHEJETZMCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18(2)28-23(29)17-27(24(28)30)15-19-9-11-20(12-10-19)22-8-6-7-21(25-22)16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3.
What are the key properties of 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione?
1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 406.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 46220218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).