1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione

C19H25N3O3 — CID 118713500

IUPAC1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]1
InChIInChI=1S/C19H25N3O3/c23-18-9-13-22(19(24)20-18)15-16-5-7-17(8-6-16)25-14-4-12-21-10-2-1-3-11-21/h5-9,13H,1-4,10-12,14-15H2,(H,20,23,24)
InChIKeyMORXKEYXBKEBSJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.84
Rot. Bonds7

About 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione

1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 118713500) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID118713500
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]1
InChIInChI=1S/C19H25N3O3/c23-18-9-13-22(19(24)20-18)15-16-5-7-17(8-6-16)25-14-4-12-21-10-2-1-3-11-21/h5-9,13H,1-4,10-12,14-15H2,(H,20,23,24)
InChIKeyMORXKEYXBKEBSJ-UHFFFAOYSA-N
XLogP1.84
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione (CID 118713500) is 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione is O=c1ccn(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]1.
What is the InChIKey of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is MORXKEYXBKEBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-18-9-13-22(19(24)20-18)15-16-5-7-17(8-6-16)25-14-4-12-21-10-2-1-3-11-21/h5-9,13H,1-4,10-12,14-15H2,(H,20,23,24).
What are the key properties of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione?
1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 343.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 118713500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).