1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one

C17H25N3O — CID 134794985

IUPAC1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one
SMILESCc1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1
InChIInChI=1S/C17H25N3O/c1-14-3-5-15(6-4-14)13-19-11-7-16(8-12-19)20-10-2-9-18-17(20)21/h3-6,16H,2,7-13H2,1H3,(H,18,21)
InChIKeyIDZACLLESXIRFV-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.37
Rot. Bonds3

About 1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one

1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one (PubChem CID 134794985) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID134794985
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one
SMILESCc1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1
InChIInChI=1S/C17H25N3O/c1-14-3-5-15(6-4-14)13-19-11-7-16(8-12-19)20-10-2-9-18-17(20)21/h3-6,16H,2,7-13H2,1H3,(H,18,21)
InChIKeyIDZACLLESXIRFV-UHFFFAOYSA-N
XLogP2.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one (CID 134794985) is 1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one is Cc1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1.
What is the InChIKey of 1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one?
The InChIKey is IDZACLLESXIRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-3-5-15(6-4-14)13-19-11-7-16(8-12-19)20-10-2-9-18-17(20)21/h3-6,16H,2,7-13H2,1H3,(H,18,21).
What are the key properties of 1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one?
1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 134794985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).