5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one

C19H35FN4O2 — CID 142546769

IUPAC5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one
SMILESCCCOC1NNC(=O)CC1N1CCN(CC2CCC(F)CC2C)CC1
InChIInChI=1S/C19H35FN4O2/c1-3-10-26-19-17(12-18(25)21-22-19)24-8-6-23(7-9-24)13-15-4-5-16(20)11-14(15)2/h14-17,19,22H,3-13H2,1-2H3,(H,21,25)
InChIKeyHHAOPLZBSSWODQ-UHFFFAOYSA-N
MW370.51 g/mol
LogP1.52
Rot. Bonds6

About 5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one

5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one (PubChem CID 142546769) has the molecular formula C19H35FN4O2 and a molecular weight of 370.51 g/mol. Its IUPAC name is 5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one.

Molecular Properties

Compound Name5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one
PubChem CID142546769
Molecular FormulaC19H35FN4O2
Molecular Weight370.51 g/mol
Exact Mass370.27
IUPAC Name5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one
SMILESCCCOC1NNC(=O)CC1N1CCN(CC2CCC(F)CC2C)CC1
InChIInChI=1S/C19H35FN4O2/c1-3-10-26-19-17(12-18(25)21-22-19)24-8-6-23(7-9-24)13-15-4-5-16(20)11-14(15)2/h14-17,19,22H,3-13H2,1-2H3,(H,21,25)
InChIKeyHHAOPLZBSSWODQ-UHFFFAOYSA-N
XLogP1.52
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one?
The IUPAC name of 5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one (CID 142546769) is 5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one.
What is the SMILES notation for 5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one?
The canonical SMILES for 5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one is CCCOC1NNC(=O)CC1N1CCN(CC2CCC(F)CC2C)CC1.
What is the InChIKey of 5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one?
The InChIKey is HHAOPLZBSSWODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FN4O2/c1-3-10-26-19-17(12-18(25)21-22-19)24-8-6-23(7-9-24)13-15-4-5-16(20)11-14(15)2/h14-17,19,22H,3-13H2,1-2H3,(H,21,25).
What are the key properties of 5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one?
5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one has a molecular weight of 370.51 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]-6-propoxydiazinan-3-one is sourced from PubChem (CID 142546769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).