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

C13H18N4O2 — CID 86263499

IUPACN'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
SMILESNC(=O)C(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C13H18N4O2/c14-12(18)13(19)16-9-10-3-7-17(8-4-10)11-1-5-15-6-2-11/h1-2,5-6,10H,3-4,7-9H2,(H2,14,18)(H,16,19)
InChIKeyAMKFXCNSGNVNSR-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.10
Rot. Bonds3

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

N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 86263499) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
PubChem CID86263499
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
SMILESNC(=O)C(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C13H18N4O2/c14-12(18)13(19)16-9-10-3-7-17(8-4-10)11-1-5-15-6-2-11/h1-2,5-6,10H,3-4,7-9H2,(H2,14,18)(H,16,19)
InChIKeyAMKFXCNSGNVNSR-UHFFFAOYSA-N
XLogP-0.10
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.10
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'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650
N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107666
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
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
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 154746493
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
N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 86263573
1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263594
4-ethyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 136520406
3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108808

Frequently Asked Questions

What is the IUPAC name of N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide (CID 86263499) is N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide is NC(=O)C(=O)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is AMKFXCNSGNVNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-12(18)13(19)16-9-10-3-7-17(8-4-10)11-1-5-15-6-2-11/h1-2,5-6,10H,3-4,7-9H2,(H2,14,18)(H,16,19).
What are the key properties of N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 262.31 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 86263499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).