N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide

C21H31N3O2 — CID 16886755

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCC2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C21H31N3O2/c1-15-11-16(2)13-18(12-15)23-21(26)20(25)22-14-17-7-9-24(10-8-17)19-5-3-4-6-19/h11-13,17,19H,3-10,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQQBMAWIRSLLZSW-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.01
Rot. Bonds4

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide (PubChem CID 16886755) 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'-(3,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide
PubChem CID16886755
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCC2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C21H31N3O2/c1-15-11-16(2)13-18(12-15)23-21(26)20(25)22-14-17-7-9-24(10-8-17)19-5-3-4-6-19/h11-13,17,19H,3-10,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQQBMAWIRSLLZSW-UHFFFAOYSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.01
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'-[(4-methylphenyl)methyl]oxamide
CID 16886745
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide
CID 16886788
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
CID 16886799
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 16886771
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide
CID 16886802
N'-phenyl-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]oxamide
CID 91814292
N'-(3,5-dimethylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521064
1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea
CID 23609402
1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
CID 5188255
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
CID 16895618
N'-(3,5-dimethylphenyl)-N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222440
N'-(4-methyl-2-nitrophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109687

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide (CID 16886755) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)NCC2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide?
The InChIKey is QQBMAWIRSLLZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15-11-16(2)13-18(12-15)23-21(26)20(25)22-14-17-7-9-24(10-8-17)19-5-3-4-6-19/h11-13,17,19H,3-10,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide has a molecular weight of 357.50 g/mol, XLogP of 3.01, 4 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'-(3,5-dimethylphenyl)oxamide is sourced from PubChem (CID 16886755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).