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

C17H31N3O3 — CID 121109641

IUPACN'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
SMILESCC(C)CNC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H31N3O3/c1-13(2)11-18-16(21)17(22)19-12-14-3-7-20(8-4-14)15-5-9-23-10-6-15/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyDFYFSKBTEGJPAK-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.77
Rot. Bonds5

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

N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide (PubChem CID 121109641) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
PubChem CID121109641
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC NameN'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
SMILESCC(C)CNC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H31N3O3/c1-13(2)11-18-16(21)17(22)19-12-14-3-7-20(8-4-14)15-5-9-23-10-6-15/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyDFYFSKBTEGJPAK-UHFFFAOYSA-N
XLogP0.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide
CID 16886802
2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63937896
N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide
CID 121109636
N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109651
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
CID 16886799
[1-(oxan-4-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 67502447
N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109673
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109702
N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 91624117
N'-(4-methyl-2-nitrophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109687
(1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 100679957
2-(2-methoxyphenoxy)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]acetamide
CID 91813001

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide (CID 121109641) is N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide is CC(C)CNC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1.
What is the InChIKey of N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
The InChIKey is DFYFSKBTEGJPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-13(2)11-18-16(21)17(22)19-12-14-3-7-20(8-4-14)15-5-9-23-10-6-15/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide has a molecular weight of 325.45 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 121109641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).