N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide

C18H26ClN3O3 — CID 18163237

IUPACN-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O3/c1-2-3-8-20-17(23)13-21-9-11-22(12-10-21)18(24)14-25-16-7-5-4-6-15(16)19/h4-7H,2-3,8-14H2,1H3,(H,20,23)
InChIKeyNUMAJOONXVASKA-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.78
Rot. Bonds8

About N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide

N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide (PubChem CID 18163237) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide
PubChem CID18163237
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O3/c1-2-3-8-20-17(23)13-21-9-11-22(12-10-21)18(24)14-25-16-7-5-4-6-15(16)19/h4-7H,2-3,8-14H2,1H3,(H,20,23)
InChIKeyNUMAJOONXVASKA-UHFFFAOYSA-N
XLogP1.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.78
H-Bond Donors ≤ 51
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-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021527
1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone
CID 110366193
N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 18163223
N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 43020083
N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55495246
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide
CID 8800252
N-butyl-2-[4-[2-(4-chloronaphthalen-1-yl)oxyacetyl]piperazin-1-ium-1-yl]acetamide
CID 9372370
1-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110366169
N-butyl-4-[2-(2-methylphenoxy)acetyl]-1,4-diazepane-1-carboxamide
CID 138807084
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 39712498
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
3-(2-chlorophenoxy)-N-decylpropanamide
CID 108789478

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide (CID 18163237) is N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)COc2ccccc2Cl)CC1.
What is the InChIKey of N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide?
The InChIKey is NUMAJOONXVASKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-2-3-8-20-17(23)13-21-9-11-22(12-10-21)18(24)14-25-16-7-5-4-6-15(16)19/h4-7H,2-3,8-14H2,1H3,(H,20,23).
What are the key properties of N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide?
N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide has a molecular weight of 367.88 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 18163237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).