N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide

C15H21Cl2N3O — CID 6468812

IUPACN-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-2-3-19-4-6-20(7-5-19)11-15(21)18-14-9-12(16)8-13(17)10-14/h8-10H,2-7,11H2,1H3,(H,18,21)
InChIKeyNKRMEICCZYQWER-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.96
Rot. Bonds5

About N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide

N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide (PubChem CID 6468812) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide
PubChem CID6468812
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC NameN-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-2-3-19-4-6-20(7-5-19)11-15(21)18-14-9-12(16)8-13(17)10-14/h8-10H,2-7,11H2,1H3,(H,18,21)
InChIKeyNKRMEICCZYQWER-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
N-(4-ethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196973
N-(3,5-dichlorophenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 31045251
N-(4-acetylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196979
N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 16781245
N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 126213434
N-(3,5-dichlorophenyl)-3-piperidin-1-ylpropanamide
CID 23906957
N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 2113839
(2S)-N-(3,5-dichlorophenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8774492
(2R)-N-(3,5-dichlorophenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8774494

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide (CID 6468812) is N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide is CCCN1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide?
The InChIKey is NKRMEICCZYQWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-2-3-19-4-6-20(7-5-19)11-15(21)18-14-9-12(16)8-13(17)10-14/h8-10H,2-7,11H2,1H3,(H,18,21).
What are the key properties of N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide?
N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide has a molecular weight of 330.26 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide is sourced from PubChem (CID 6468812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).