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

C19H29ClN4O2 — CID 119833651

IUPAC2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESNCCCCCCC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H29ClN4O2/c20-16-7-4-5-8-17(16)22-18(25)15-23-11-13-24(14-12-23)19(26)9-3-1-2-6-10-21/h4-5,7-8H,1-3,6,9-15,21H2,(H,22,25)
InChIKeyCIIAHUOZCDHFOB-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.33
Rot. Bonds9

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

2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 119833651) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID119833651
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESNCCCCCCC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H29ClN4O2/c20-16-7-4-5-8-17(16)22-18(25)15-23-11-13-24(14-12-23)19(26)9-3-1-2-6-10-21/h4-5,7-8H,1-3,6,9-15,21H2,(H,22,25)
InChIKeyCIIAHUOZCDHFOB-UHFFFAOYSA-N
XLogP2.33
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.33
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

2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 119833586
N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide
CID 37214098
N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 25490702
N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide
CID 8749055
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833649
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide
CID 119840154
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 17498493
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 119833651) is 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide is NCCCCCCC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is CIIAHUOZCDHFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O2/c20-16-7-4-5-8-17(16)22-18(25)15-23-11-13-24(14-12-23)19(26)9-3-1-2-6-10-21/h4-5,7-8H,1-3,6,9-15,21H2,(H,22,25).
What are the key properties of 2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 380.92 g/mol, XLogP of 2.33, 9 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-(2-chlorophenyl)acetamide is sourced from PubChem (CID 119833651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).