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

C17H25ClN4O2 — CID 26569605

IUPACN-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClN4O2/c1-2-3-8-19-17(24)20-16(23)13-21-9-11-22(12-10-21)15-7-5-4-6-14(15)18/h4-7H,2-3,8-13H2,1H3,(H2,19,20,23,24)
InChIKeyFCZWSAXFDIZMFV-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.09
Rot. Bonds6

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

N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide (PubChem CID 26569605) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
PubChem CID26569605
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClN4O2/c1-2-3-8-19-17(24)20-16(23)13-21-9-11-22(12-10-21)15-7-5-4-6-14(15)18/h4-7H,2-3,8-13H2,1H3,(H2,19,20,23,24)
InChIKeyFCZWSAXFDIZMFV-UHFFFAOYSA-N
XLogP2.09
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.09
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-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
N-(ethylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150301
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide
CID 78792829
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide
CID 8800252
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346721
2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide
CID 119902706
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 8529745
N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 18163223
N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 18163237
N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 55412983
N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 55828275

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide (CID 26569605) is N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide is CCCCNC(=O)NC(=O)CN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide?
The InChIKey is FCZWSAXFDIZMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-2-3-8-19-17(24)20-16(23)13-21-9-11-22(12-10-21)15-7-5-4-6-14(15)18/h4-7H,2-3,8-13H2,1H3,(H2,19,20,23,24).
What are the key properties of N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide?
N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide has a molecular weight of 352.87 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 26569605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).