2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide

C20H32N4O2 — CID 119840154

IUPAC2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide
SMILESNCCCCCCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H32N4O2/c21-11-7-2-1-6-10-20(26)24-14-12-23(13-15-24)17-19(25)22-16-18-8-4-3-5-9-18/h3-5,8-9H,1-2,6-7,10-17,21H2,(H,22,25)
InChIKeyLCXLMACCQGIWQY-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.36
Rot. Bonds10

About 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide

2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide (PubChem CID 119840154) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide
PubChem CID119840154
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide
SMILESNCCCCCCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H32N4O2/c21-11-7-2-1-6-10-20(26)24-14-12-23(13-15-24)17-19(25)22-16-18-8-4-3-5-9-18/h3-5,8-9H,1-2,6-7,10-17,21H2,(H,22,25)
InChIKeyLCXLMACCQGIWQY-UHFFFAOYSA-N
XLogP1.36
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.36
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-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833651
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155
2-[4-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl]piperazin-1-yl]-N-benzylacetamide
CID 30458613
N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide
CID 34436116
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 119833586
N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide
CID 16603881
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119946370
N-[2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 18140475
N-benzyl-2-[4-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]-1,4-diazepan-1-yl]acetamide
CID 3831716
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide (CID 119840154) is 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide is NCCCCCCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide?
The InChIKey is LCXLMACCQGIWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c21-11-7-2-1-6-10-20(26)24-14-12-23(13-15-24)17-19(25)22-16-18-8-4-3-5-9-18/h3-5,8-9H,1-2,6-7,10-17,21H2,(H,22,25).
What are the key properties of 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide?
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide has a molecular weight of 360.50 g/mol, XLogP of 1.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide is sourced from PubChem (CID 119840154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).