2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

C17H30F3N3O2 — CID 120813245

IUPAC2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESCC(OC1CCCCCC1)C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C17H30F3N3O2/c1-13(25-14-6-4-2-3-5-7-14)16(24)22-12-15(17(18,19)20)23-10-8-21-9-11-23/h13-15,21H,2-12H2,1H3,(H,22,24)
InChIKeyWZQVGKZDSQFJBJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.07
Rot. Bonds6

About 2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (PubChem CID 120813245) has the molecular formula C17H30F3N3O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
PubChem CID120813245
Molecular FormulaC17H30F3N3O2
Molecular Weight365.44 g/mol
Exact Mass365.23
IUPAC Name2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESCC(OC1CCCCCC1)C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C17H30F3N3O2/c1-13(25-14-6-4-2-3-5-7-14)16(24)22-12-15(17(18,19)20)23-10-8-21-9-11-23/h13-15,21H,2-12H2,1H3,(H,22,24)
InChIKeyWZQVGKZDSQFJBJ-UHFFFAOYSA-N
XLogP2.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (CID 120813245) is 2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is CC(OC1CCCCCC1)C(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The InChIKey is WZQVGKZDSQFJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N3O2/c1-13(25-14-6-4-2-3-5-7-14)16(24)22-12-15(17(18,19)20)23-10-8-21-9-11-23/h13-15,21H,2-12H2,1H3,(H,22,24).
What are the key properties of 2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide has a molecular weight of 365.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 120813245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).