N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide

C16H24N4O2 — CID 36845543

IUPACN-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(=O)NCCNC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H24N4O2/c1-14(21)17-7-8-18-16(22)13-19-9-11-20(12-10-19)15-5-3-2-4-6-15/h2-6H,7-13H2,1H3,(H,17,21)(H,18,22)
InChIKeyTVXKGQAIMCAMBD-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.06
Rot. Bonds6

About N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 36845543) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID36845543
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(=O)NCCNC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H24N4O2/c1-14(21)17-7-8-18-16(22)13-19-9-11-20(12-10-19)15-5-3-2-4-6-15/h2-6H,7-13H2,1H3,(H,17,21)(H,18,22)
InChIKeyTVXKGQAIMCAMBD-UHFFFAOYSA-N
XLogP0.06
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 109002098
N-(2-acetamidoethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 36845006
2-(4-phenylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 42859124
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 38125172
2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propanamide
CID 154447735
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 30899995
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 2682322
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 51284732

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 36845543) is N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide is CC(=O)NCCNC(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is TVXKGQAIMCAMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-14(21)17-7-8-18-16(22)13-19-9-11-20(12-10-19)15-5-3-2-4-6-15/h2-6H,7-13H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 36845543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).