2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide

C20H30N4O3 — CID 108527661

IUPAC2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
SMILESCN1CCN(c2ccc(NC(=O)C(=O)N3CCCCC3CCO)cc2)CC1
InChIInChI=1S/C20H30N4O3/c1-22-11-13-23(14-12-22)17-7-5-16(6-8-17)21-19(26)20(27)24-10-3-2-4-18(24)9-15-25/h5-8,18,25H,2-4,9-15H2,1H3,(H,21,26)
InChIKeyLDRTXIQFVRMJJE-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.14
Rot. Bonds4

About 2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide

2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide (PubChem CID 108527661) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
PubChem CID108527661
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
SMILESCN1CCN(c2ccc(NC(=O)C(=O)N3CCCCC3CCO)cc2)CC1
InChIInChI=1S/C20H30N4O3/c1-22-11-13-23(14-12-22)17-7-5-16(6-8-17)21-19(26)20(27)24-10-3-2-4-18(24)9-15-25/h5-8,18,25H,2-4,9-15H2,1H3,(H,21,26)
InChIKeyLDRTXIQFVRMJJE-UHFFFAOYSA-N
XLogP1.14
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515753
N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108522156
N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108505990
N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108512179
1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 108980086
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
N-(2,5-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108531033
2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006402
2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501493
2-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-2-oxoacetamide
CID 47336169
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108522277

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide (CID 108527661) is 2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide is CN1CCN(c2ccc(NC(=O)C(=O)N3CCCCC3CCO)cc2)CC1.
What is the InChIKey of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide?
The InChIKey is LDRTXIQFVRMJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-22-11-13-23(14-12-22)17-7-5-16(6-8-17)21-19(26)20(27)24-10-3-2-4-18(24)9-15-25/h5-8,18,25H,2-4,9-15H2,1H3,(H,21,26).
What are the key properties of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide?
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide has a molecular weight of 374.49 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 108527661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).