N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide

C14H20ClN3O — CID 104976877

IUPACN-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCN[C@@H](C)C1
InChIInChI=1S/C14H20ClN3O/c1-10-7-12(15)3-4-13(10)17-14(19)9-18-6-5-16-11(2)8-18/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyYHMXTCAHMNDASY-NSHDSACASA-N
MW281.79 g/mol
LogP1.88
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide

N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104976877) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
PubChem CID104976877
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCN[C@@H](C)C1
InChIInChI=1S/C14H20ClN3O/c1-10-7-12(15)3-4-13(10)17-14(19)9-18-6-5-16-11(2)8-18/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyYHMXTCAHMNDASY-NSHDSACASA-N
XLogP1.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975276
N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65447509
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449
N-(3-chlorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976986
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65449046
2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 104975748
N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493
2-[(3S)-3-methylpiperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 104977240
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924663
N-(2-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65450158
N-(2-bromo-4-methylphenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975690
N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104977127

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide (CID 104976877) is N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide is Cc1cc(Cl)ccc1NC(=O)CN1CCN[C@@H](C)C1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is YHMXTCAHMNDASY-NSHDSACASA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10-7-12(15)3-4-13(10)17-14(19)9-18-6-5-16-11(2)8-18/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19)/t11-/m0/s1.
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 281.79 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104976877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).