N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide

C13H17Cl2N3O — CID 104975276

IUPACN-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C13H17Cl2N3O/c1-9-7-18(5-4-16-9)8-13(19)17-12-6-10(14)2-3-11(12)15/h2-3,6,9,16H,4-5,7-8H2,1H3,(H,17,19)/t9-/m1/s1
InChIKeyNAJGUOSBCBQGKN-SECBINFHSA-N
MW302.20 g/mol
LogP2.23
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide

N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104975276) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
PubChem CID104975276
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC NameN-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C13H17Cl2N3O/c1-9-7-18(5-4-16-9)8-13(19)17-12-6-10(14)2-3-11(12)15/h2-3,6,9,16H,4-5,7-8H2,1H3,(H,17,19)/t9-/m1/s1
InChIKeyNAJGUOSBCBQGKN-SECBINFHSA-N
XLogP2.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877
2-[(3S)-3-methylpiperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 104977240
N-(2-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65450158
N-(3-chlorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976986
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65449046
N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924663
2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119924470
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449
2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 104975748
N-(2,5-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545625
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide (CID 104975276) is N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide is C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)CCN1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is NAJGUOSBCBQGKN-SECBINFHSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-9-7-18(5-4-16-9)8-13(19)17-12-6-10(14)2-3-11(12)15/h2-3,6,9,16H,4-5,7-8H2,1H3,(H,17,19)/t9-/m1/s1.
What are the key properties of N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 302.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104975276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).