N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide

C16H29N3O2 — CID 108507306

IUPACN-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
SMILESCN1CCC(N(C)C(=O)C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-18-11-9-14(10-12-18)19(2)16(21)15(20)17-13-7-5-3-4-6-8-13/h13-14H,3-12H2,1-2H3,(H,17,20)
InChIKeyBUIPJZJEBWTJOY-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.38
Rot. Bonds2

About N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide

N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide (PubChem CID 108507306) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
PubChem CID108507306
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
SMILESCN1CCC(N(C)C(=O)C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-18-11-9-14(10-12-18)19(2)16(21)15(20)17-13-7-5-3-4-6-8-13/h13-14H,3-12H2,1-2H3,(H,17,20)
InChIKeyBUIPJZJEBWTJOY-UHFFFAOYSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyloxamide
CID 108505985
3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
CID 110874782
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507207
N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108505387
N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507216
2-[(1-methylpiperidin-4-yl)amino]-2-oxoacetic acid
CID 43444893
N-cyclohexyl-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108504394
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63042287
3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902822
N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507327
N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride
CID 22934824
2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide
CID 100938462

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The IUPAC name of N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide (CID 108507306) is N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide.
What is the SMILES notation for N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The canonical SMILES for N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide is CN1CCC(N(C)C(=O)C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The InChIKey is BUIPJZJEBWTJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-18-11-9-14(10-12-18)19(2)16(21)15(20)17-13-7-5-3-4-6-8-13/h13-14H,3-12H2,1-2H3,(H,17,20).
What are the key properties of N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide has a molecular weight of 295.43 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108507306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).