2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide

C16H23FN4O2 — CID 154832444

IUPAC2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide
SMILESNC(=O)C(F)C1CCN(C(=O)c2cnc3n2CCCCC3)CC1
InChIInChI=1S/C16H23FN4O2/c17-14(15(18)22)11-5-8-20(9-6-11)16(23)12-10-19-13-4-2-1-3-7-21(12)13/h10-11,14H,1-9H2,(H2,18,22)
InChIKeyKMUZCHHRXFBDSV-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.29
Rot. Bonds3

About 2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide

2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 154832444) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID154832444
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide
SMILESNC(=O)C(F)C1CCN(C(=O)c2cnc3n2CCCCC3)CC1
InChIInChI=1S/C16H23FN4O2/c17-14(15(18)22)11-5-8-20(9-6-11)16(23)12-10-19-13-4-2-1-3-7-21(12)13/h10-11,14H,1-9H2,(H2,18,22)
InChIKeyKMUZCHHRXFBDSV-UHFFFAOYSA-N
XLogP1.29
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide (CID 154832444) is 2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide is NC(=O)C(F)C1CCN(C(=O)c2cnc3n2CCCCC3)CC1.
What is the InChIKey of 2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is KMUZCHHRXFBDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c17-14(15(18)22)11-5-8-20(9-6-11)16(23)12-10-19-13-4-2-1-3-7-21(12)13/h10-11,14H,1-9H2,(H2,18,22).
What are the key properties of 2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide?
2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 322.38 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[1-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 154832444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).