N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide

C20H29N3O2 — CID 16892223

IUPACN'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(N2CCCCC2)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C20H29N3O2/c24-19(20(25)22-17-6-2-3-7-17)21-13-12-16-8-10-18(11-9-16)23-14-4-1-5-15-23/h8-11,17H,1-7,12-15H2,(H,21,24)(H,22,25)
InChIKeyOQJIQOAOBUDKGL-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.39
Rot. Bonds5

About N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide

N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide (PubChem CID 16892223) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
PubChem CID16892223
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(N2CCCCC2)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C20H29N3O2/c24-19(20(25)22-17-6-2-3-7-17)21-13-12-16-8-10-18(11-9-16)23-14-4-1-5-15-23/h8-11,17H,1-7,12-15H2,(H,21,24)(H,22,25)
InChIKeyOQJIQOAOBUDKGL-UHFFFAOYSA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892053
N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891637
N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892366
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458
N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503179
N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268287
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837305
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108504420

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide (CID 16892223) is N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide is O=C(NCCc1ccc(N2CCCCC2)cc1)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide?
The InChIKey is OQJIQOAOBUDKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(20(25)22-17-6-2-3-7-17)21-13-12-16-8-10-18(11-9-16)23-14-4-1-5-15-23/h8-11,17H,1-7,12-15H2,(H,21,24)(H,22,25).
What are the key properties of N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide?
N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide has a molecular weight of 343.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide is sourced from PubChem (CID 16892223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).