(3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone

C18H33FN4O — CID 123743708

IUPAC(3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone
SMILESCC1CNCC(F)C1N1CCC(C(=O)N2CCNC(C)(C)C2)CC1
InChIInChI=1S/C18H33FN4O/c1-13-10-20-11-15(19)16(13)22-7-4-14(5-8-22)17(24)23-9-6-21-18(2,3)12-23/h13-16,20-21H,4-12H2,1-3H3
InChIKeyFNANVDGENSHWRZ-UHFFFAOYSA-N
MW340.49 g/mol
LogP0.85
Rot. Bonds2

About (3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone

(3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone (PubChem CID 123743708) has the molecular formula C18H33FN4O and a molecular weight of 340.49 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone
PubChem CID123743708
Molecular FormulaC18H33FN4O
Molecular Weight340.49 g/mol
Exact Mass340.26
IUPAC Name(3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone
SMILESCC1CNCC(F)C1N1CCC(C(=O)N2CCNC(C)(C)C2)CC1
InChIInChI=1S/C18H33FN4O/c1-13-10-20-11-15(19)16(13)22-7-4-14(5-8-22)17(24)23-9-6-21-18(2,3)12-23/h13-16,20-21H,4-12H2,1-3H3
InChIKeyFNANVDGENSHWRZ-UHFFFAOYSA-N
XLogP0.85
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone (CID 123743708) is (3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone is CC1CNCC(F)C1N1CCC(C(=O)N2CCNC(C)(C)C2)CC1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is FNANVDGENSHWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN4O/c1-13-10-20-11-15(19)16(13)22-7-4-14(5-8-22)17(24)23-9-6-21-18(2,3)12-23/h13-16,20-21H,4-12H2,1-3H3.
What are the key properties of (3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone?
(3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 340.49 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperazin-1-yl)-[1-(3-fluoro-5-methylpiperidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 123743708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).