2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide

C16H26N6O2 — CID 166831802

IUPAC2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide
SMILESNNCCNC(=O)Cc1ccc(N2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C16H26N6O2/c17-15(23)12-21-7-9-22(10-8-21)14-3-1-13(2-4-14)11-16(24)19-5-6-20-18/h1-4,20H,5-12,18H2,(H2,17,23)(H,19,24)
InChIKeyQPBINDWAHALESV-UHFFFAOYSA-N
MW334.42 g/mol
LogP-1.58
Rot. Bonds8

About 2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide

2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide (PubChem CID 166831802) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide
PubChem CID166831802
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide
SMILESNNCCNC(=O)Cc1ccc(N2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C16H26N6O2/c17-15(23)12-21-7-9-22(10-8-21)14-3-1-13(2-4-14)11-16(24)19-5-6-20-18/h1-4,20H,5-12,18H2,(H2,17,23)(H,19,24)
InChIKeyQPBINDWAHALESV-UHFFFAOYSA-N
XLogP-1.58
TPSA116.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 69030139
2-(4-aminophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 119902192
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990
2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198584
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56546152
2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 28507598
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266624
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266374
N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 36845543
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46056186

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide?
The IUPAC name of 2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide (CID 166831802) is 2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide.
What is the SMILES notation for 2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide?
The canonical SMILES for 2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide is NNCCNC(=O)Cc1ccc(N2CCN(CC(N)=O)CC2)cc1.
What is the InChIKey of 2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide?
The InChIKey is QPBINDWAHALESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c17-15(23)12-21-7-9-22(10-8-21)14-3-1-13(2-4-14)11-16(24)19-5-6-20-18/h1-4,20H,5-12,18H2,(H2,17,23)(H,19,24).
What are the key properties of 2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide?
2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of -1.58, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-N-(2-hydrazinylethyl)acetamide is sourced from PubChem (CID 166831802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).