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

C21H31N3O2 — CID 16886788

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H31N3O2/c1-2-17-7-3-6-10-19(17)23-21(26)20(25)22-15-16-11-13-24(14-12-16)18-8-4-5-9-18/h3,6-7,10,16,18H,2,4-5,8-9,11-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyMMZMIBJVOHKOBW-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.96
Rot. Bonds5

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

N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide (PubChem CID 16886788) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide
PubChem CID16886788
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H31N3O2/c1-2-17-7-3-6-10-19(17)23-21(26)20(25)22-15-16-11-13-24(14-12-16)18-8-4-5-9-18/h3,6-7,10,16,18H,2,4-5,8-9,11-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyMMZMIBJVOHKOBW-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.96
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-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 16886771
N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109673
N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 91624117
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'-(2-methylsulfanylphenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]oxamide
CID 100684012
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
CID 16886799
N'-phenyl-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]oxamide
CID 91814292
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide
CID 16886802
N'-(2-ethylphenyl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]oxamide
CID 7330201
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
CID 16895629
N'-(2-fluorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886603

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide (CID 16886788) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide is CCc1ccccc1NC(=O)C(=O)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide?
The InChIKey is MMZMIBJVOHKOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-2-17-7-3-6-10-19(17)23-21(26)20(25)22-15-16-11-13-24(14-12-16)18-8-4-5-9-18/h3,6-7,10,16,18H,2,4-5,8-9,11-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide has a molecular weight of 357.50 g/mol, XLogP of 2.96, 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-ethylphenyl)oxamide is sourced from PubChem (CID 16886788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).