N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide

C17H31N3O2 — CID 16886802

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-13(2)11-18-16(21)17(22)19-12-14-7-9-20(10-8-14)15-5-3-4-6-15/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLWPRYYZQOLWPCS-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.53
Rot. Bonds5

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide (PubChem CID 16886802) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide
PubChem CID16886802
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-13(2)11-18-16(21)17(22)19-12-14-7-9-20(10-8-14)15-5-3-4-6-15/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLWPRYYZQOLWPCS-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.53
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'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109641
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
CID 16886799
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
CID 16895618
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide
CID 16886755
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 16886745
N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109651
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 16886771
N-[(1-cyclopentylpiperidin-4-yl)methyl]propan-2-amine
CID 63847367
(3S)-3-amino-4-[(1-cyclopentylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 131947489
2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63937896
N-[(1-cycloheptylpiperidin-4-yl)methyl]propan-2-amine
CID 82925346
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide
CID 16886788

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide (CID 16886802) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide?
The InChIKey is LWPRYYZQOLWPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-13(2)11-18-16(21)17(22)19-12-14-7-9-20(10-8-14)15-5-3-4-6-15/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide has a molecular weight of 309.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide is sourced from PubChem (CID 16886802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).