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

C14H21N3O — CID 82704678

IUPACN-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESCc1ccccc1NC(=O)CN1CCNC[C@@H]1C
InChIInChI=1S/C14H21N3O/c1-11-5-3-4-6-13(11)16-14(18)10-17-8-7-15-9-12(17)2/h3-6,12,15H,7-10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyQIOZNPUKLYUPTH-LBPRGKRZSA-N
MW247.34 g/mol
LogP1.23
Rot. Bonds3

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

N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (PubChem CID 82704678) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
PubChem CID82704678
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESCc1ccccc1NC(=O)CN1CCNC[C@@H]1C
InChIInChI=1S/C14H21N3O/c1-11-5-3-4-6-13(11)16-14(18)10-17-8-7-15-9-12(17)2/h3-6,12,15H,7-10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyQIOZNPUKLYUPTH-LBPRGKRZSA-N
XLogP1.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82714024
N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916399
2-[(2S)-2-methylpiperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 82713934
N-(2-ethoxyphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62671745
N-(2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 7332900
N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673321
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[(2R)-2-methylpiperazin-1-yl]acetamide
CID 82713552
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
N-(2,4-difluorophenyl)-2-[(2R)-2-methylpiperazin-1-yl]acetamide
CID 82713919
N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704869

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (CID 82704678) is N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is Cc1ccccc1NC(=O)CN1CCNC[C@@H]1C.
What is the InChIKey of N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The InChIKey is QIOZNPUKLYUPTH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-5-3-4-6-13(11)16-14(18)10-17-8-7-15-9-12(17)2/h3-6,12,15H,7-10H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 82704678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).