2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide

C14H24F3N3O — CID 58561751

IUPAC2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide
SMILESO=C(NCC1(N2CCNCC2)CCCCCC1)C(F)(F)F
InChIInChI=1S/C14H24F3N3O/c15-14(16,17)12(21)19-11-13(5-3-1-2-4-6-13)20-9-7-18-8-10-20/h18H,1-11H2,(H,19,21)
InChIKeyGQOVUANAWMQZHN-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.66
Rot. Bonds3

About 2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide

2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide (PubChem CID 58561751) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide
PubChem CID58561751
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide
SMILESO=C(NCC1(N2CCNCC2)CCCCCC1)C(F)(F)F
InChIInChI=1S/C14H24F3N3O/c15-14(16,17)12(21)19-11-13(5-3-1-2-4-6-13)20-9-7-18-8-10-20/h18H,1-11H2,(H,19,21)
InChIKeyGQOVUANAWMQZHN-UHFFFAOYSA-N
XLogP1.66
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-piperazin-1-ylcyclohexyl)acetic acid
CID 115035729
3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 81485319
4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
CID 119682329
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 63006010
N-[(1-ethylcyclopentyl)methyl]-2,2,2-trifluoroacetamide
CID 103766554
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride
CID 119682326
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918503
2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 131915440
4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119856169
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119887107
3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide
CID 102603401

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide (CID 58561751) is 2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide is O=C(NCC1(N2CCNCC2)CCCCCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide?
The InChIKey is GQOVUANAWMQZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c15-14(16,17)12(21)19-11-13(5-3-1-2-4-6-13)20-9-7-18-8-10-20/h18H,1-11H2,(H,19,21).
What are the key properties of 2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide?
2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide has a molecular weight of 307.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide is sourced from PubChem (CID 58561751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).