N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide

C17H29F3N2O4 — CID 158070102

IUPACN-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
SMILESCOCC1(COC)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C17H29F3N2O4/c1-25-12-16(13-26-2)7-10-22(11-8-16)14(23)6-4-3-5-9-21-15(24)17(18,19)20/h3-13H2,1-2H3,(H,21,24)
InChIKeyFLSJBLWJAKVKSV-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.13
Rot. Bonds10

About N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide

N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide (PubChem CID 158070102) has the molecular formula C17H29F3N2O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
PubChem CID158070102
Molecular FormulaC17H29F3N2O4
Molecular Weight382.42 g/mol
Exact Mass382.21
IUPAC NameN-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
SMILESCOCC1(COC)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C17H29F3N2O4/c1-25-12-16(13-26-2)7-10-22(11-8-16)14(23)6-4-3-5-9-21-15(24)17(18,19)20/h3-13H2,1-2H3,(H,21,24)
InChIKeyFLSJBLWJAKVKSV-UHFFFAOYSA-N
XLogP2.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide (CID 158070102) is N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide is COCC1(COC)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide?
The InChIKey is FLSJBLWJAKVKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F3N2O4/c1-25-12-16(13-26-2)7-10-22(11-8-16)14(23)6-4-3-5-9-21-15(24)17(18,19)20/h3-13H2,1-2H3,(H,21,24).
What are the key properties of N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide?
N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 382.42 g/mol, XLogP of 2.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 158070102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).