N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide

C18H26N4O2 — CID 108505990

IUPACN-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCN1CCN(c2ccc(NC(=O)C(=O)NC3CCCC3)cc2)CC1
InChIInChI=1S/C18H26N4O2/c1-21-10-12-22(13-11-21)16-8-6-15(7-9-16)20-18(24)17(23)19-14-4-2-3-5-14/h6-9,14H,2-5,10-13H2,1H3,(H,19,23)(H,20,24)
InChIKeyBXXAPYHYOPKKFX-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.44
Rot. Bonds3

About N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide

N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (PubChem CID 108505990) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
PubChem CID108505990
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCN1CCN(c2ccc(NC(=O)C(=O)NC3CCCC3)cc2)CC1
InChIInChI=1S/C18H26N4O2/c1-21-10-12-22(13-11-21)16-8-6-15(7-9-16)20-18(24)17(23)19-14-4-2-3-5-14/h6-9,14H,2-5,10-13H2,1H3,(H,19,23)(H,20,24)
InChIKeyBXXAPYHYOPKKFX-UHFFFAOYSA-N
XLogP1.44
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013548
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide
CID 7627719
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527636
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
CID 110369688
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166
N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108526491
(Z)-2,3-dimethyl-4-[4-(4-methylpiperazin-1-yl)anilino]-4-oxobut-2-enoic acid
CID 39201040
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 108527661
2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide
CID 108984409

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The IUPAC name of N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (CID 108505990) is N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The canonical SMILES for N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is CN1CCN(c2ccc(NC(=O)C(=O)NC3CCCC3)cc2)CC1.
What is the InChIKey of N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The InChIKey is BXXAPYHYOPKKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21-10-12-22(13-11-21)16-8-6-15(7-9-16)20-18(24)17(23)19-14-4-2-3-5-14/h6-9,14H,2-5,10-13H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide has a molecular weight of 330.43 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is sourced from PubChem (CID 108505990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).