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

C16H24N4O2 — CID 121107650

IUPACN'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H24N4O2/c1-12(2)19-16(22)15(21)18-11-13-5-9-20(10-6-13)14-3-7-17-8-4-14/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGTABBJBVYDEFAJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.94
Rot. Bonds4

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

N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 121107650) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
PubChem CID121107650
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H24N4O2/c1-12(2)19-16(22)15(21)18-11-13-5-9-20(10-6-13)14-3-7-17-8-4-14/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGTABBJBVYDEFAJ-UHFFFAOYSA-N
XLogP0.94
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.94
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-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107666
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 154746493
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
CID 16886799
1-(3,4-dimethylphenyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263595
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N'-propan-2-yloxamide
CID 121107882
N'-(1,3-benzodioxol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263494
N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 121107711

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide (CID 121107650) is N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide is CC(C)NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is GTABBJBVYDEFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(2)19-16(22)15(21)18-11-13-5-9-20(10-6-13)14-3-7-17-8-4-14/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 304.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 121107650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).