N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide

C15H26FN3O — CID 70289362

IUPACN-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2C=C(F)CCC2)CC1
InChIInChI=1S/C15H26FN3O/c1-13(20)17-5-6-18-7-9-19(10-8-18)12-14-3-2-4-15(16)11-14/h11,14H,2-10,12H2,1H3,(H,17,20)
InChIKeyLDUBYVSIKYGHGL-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.39
Rot. Bonds5

About N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide

N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 70289362) has the molecular formula C15H26FN3O and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide
PubChem CID70289362
Molecular FormulaC15H26FN3O
Molecular Weight283.39 g/mol
Exact Mass283.21
IUPAC NameN-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2C=C(F)CCC2)CC1
InChIInChI=1S/C15H26FN3O/c1-13(20)17-5-6-18-7-9-19(10-8-18)12-14-3-2-4-15(16)11-14/h11,14H,2-10,12H2,1H3,(H,17,20)
InChIKeyLDUBYVSIKYGHGL-UHFFFAOYSA-N
XLogP1.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide (CID 70289362) is N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(CC2C=C(F)CCC2)CC1.
What is the InChIKey of N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is LDUBYVSIKYGHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3O/c1-13(20)17-5-6-18-7-9-19(10-8-18)12-14-3-2-4-15(16)11-14/h11,14H,2-10,12H2,1H3,(H,17,20).
What are the key properties of N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide?
N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 283.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70289362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).