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

C20H26N4O3 — CID 91624117

IUPACN'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C20H26N4O3/c21-13-16-3-1-2-4-18(16)23-20(26)19(25)22-14-15-5-9-24(10-6-15)17-7-11-27-12-8-17/h1-4,15,17H,5-12,14H2,(H,22,25)(H,23,26)
InChIKeyFUVBNXSGTCVMLF-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.50
Rot. Bonds4

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

N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide (PubChem CID 91624117) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
PubChem CID91624117
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C20H26N4O3/c21-13-16-3-1-2-4-18(16)23-20(26)19(25)22-14-15-5-9-24(10-6-15)17-7-11-27-12-8-17/h1-4,15,17H,5-12,14H2,(H,22,25)(H,23,26)
InChIKeyFUVBNXSGTCVMLF-UHFFFAOYSA-N
XLogP1.50
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109673
N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786297
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide
CID 16886788
N'-(4-methyl-2-nitrophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109687
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 16886771
N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide
CID 129355855
N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide
CID 110864676
N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62382807
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-fluorophenyl)oxamide
CID 121107742
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-ethoxyphenyl)oxamide
CID 72716890
N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109641
N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide
CID 121109636

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide (CID 91624117) is N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide is N#Cc1ccccc1NC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1.
What is the InChIKey of N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
The InChIKey is FUVBNXSGTCVMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c21-13-16-3-1-2-4-18(16)23-20(26)19(25)22-14-15-5-9-24(10-6-15)17-7-11-27-12-8-17/h1-4,15,17H,5-12,14H2,(H,22,25)(H,23,26).
What are the key properties of N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide has a molecular weight of 370.45 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 91624117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).