2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C20H32N4O — CID 109006402

IUPAC2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCC1CCCCN1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C20H32N4O/c1-3-18-6-4-5-11-24(18)16-20(25)21-17-7-9-19(10-8-17)23-14-12-22(2)13-15-23/h7-10,18H,3-6,11-16H2,1-2H3,(H,21,25)
InChIKeyTZZRVFRDGWVTAG-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.64
Rot. Bonds5

About 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 109006402) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID109006402
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCC1CCCCN1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C20H32N4O/c1-3-18-6-4-5-11-24(18)16-20(25)21-17-7-9-19(10-8-17)23-14-12-22(2)13-15-23/h7-10,18H,3-6,11-16H2,1-2H3,(H,21,25)
InChIKeyTZZRVFRDGWVTAG-UHFFFAOYSA-N
XLogP2.64
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395
N-[4-(aminomethyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266257
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496286
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
N-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999278
N-[4-(difluoromethylsulfonyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 51284715
1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 108980086
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006520

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 109006402) is 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CCC1CCCCN1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is TZZRVFRDGWVTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-3-18-6-4-5-11-24(18)16-20(25)21-17-7-9-19(10-8-17)23-14-12-22(2)13-15-23/h7-10,18H,3-6,11-16H2,1-2H3,(H,21,25).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 109006402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).