N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

C18H25N3O4 — CID 108530988

IUPACN-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(NC1CCCCCC1)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H25N3O4/c22-16(19-14-6-3-1-2-4-7-14)18(24)21-11-9-20(10-12-21)17(23)15-8-5-13-25-15/h5,8,13-14H,1-4,6-7,9-12H2,(H,19,22)
InChIKeyQUOZWGSDASAJQK-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.40
Rot. Bonds2

About N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108530988) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108530988
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(NC1CCCCCC1)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H25N3O4/c22-16(19-14-6-3-1-2-4-7-14)18(24)21-11-9-20(10-12-21)17(23)15-8-5-13-25-15/h5,8,13-14H,1-4,6-7,9-12H2,(H,19,22)
InChIKeyQUOZWGSDASAJQK-UHFFFAOYSA-N
XLogP1.40
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 119153283
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030061
azepan-1-yl(furan-2-yl)methanone
CID 5200992
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109174532
3-(cyclopentylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109013650
N-cyclooctylfuran-2-carboxamide
CID 790432
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119153276
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea
CID 113029543

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (CID 108530988) is N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is O=C(NC1CCCCCC1)C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is QUOZWGSDASAJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c22-16(19-14-6-3-1-2-4-7-14)18(24)21-11-9-20(10-12-21)17(23)15-8-5-13-25-15/h5,8,13-14H,1-4,6-7,9-12H2,(H,19,22).
What are the key properties of N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 347.42 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108530988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).