N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide

C18H33N3O2 — CID 16886617

IUPACN'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)N1CCC(CNC(=O)C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-14(2)21-11-9-15(10-12-21)13-19-17(22)18(23)20-16-7-5-3-4-6-8-16/h14-16H,3-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyMGLBNBMYPLPGBH-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.06
Rot. Bonds4

About N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide

N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886617) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID16886617
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)N1CCC(CNC(=O)C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-14(2)21-11-9-15(10-12-21)13-19-17(22)18(23)20-16-7-5-3-4-6-8-16/h14-16H,3-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyMGLBNBMYPLPGBH-UHFFFAOYSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109651
N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107666
N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887351
2-(cyclopentylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 61209304
N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886576
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
CID 20801241
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886913
N'-(2-fluorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886603
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
CID 16886799
N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide
CID 7321963
N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886626

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (CID 16886617) is N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is CC(C)N1CCC(CNC(=O)C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is MGLBNBMYPLPGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-14(2)21-11-9-15(10-12-21)13-19-17(22)18(23)20-16-7-5-3-4-6-8-16/h14-16H,3-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 323.48 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).