N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

C17H18Cl2N4O — CID 120755163

IUPACN-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCNCC1c1cccnc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N4O/c18-13-3-4-15(14(19)8-13)22-17(24)11-23-7-6-21-10-16(23)12-2-1-5-20-9-12/h1-5,8-9,16,21H,6-7,10-11H2,(H,22,24)
InChIKeyKRYMOKACZQUQIZ-UHFFFAOYSA-N
MW365.26 g/mol
LogP2.97
Rot. Bonds4

About N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (PubChem CID 120755163) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
PubChem CID120755163
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC NameN-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCNCC1c1cccnc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N4O/c18-13-3-4-15(14(19)8-13)22-17(24)11-23-7-6-21-10-16(23)12-2-1-5-20-9-12/h1-5,8-9,16,21H,6-7,10-11H2,(H,22,24)
InChIKeyKRYMOKACZQUQIZ-UHFFFAOYSA-N
XLogP2.97
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754763
N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755860
N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755903
N-(2,3-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754934
N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide
CID 120754693
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754684
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754525
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755849
N-(4-chloro-3-nitrophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755599
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (CID 120755163) is N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is O=C(CN1CCNCC1c1cccnc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is KRYMOKACZQUQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c18-13-3-4-15(14(19)8-13)22-17(24)11-23-7-6-21-10-16(23)12-2-1-5-20-9-12/h1-5,8-9,16,21H,6-7,10-11H2,(H,22,24).
What are the key properties of N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 365.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 120755163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).