N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

C15H22ClN3O — CID 82704766

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCNC[C@@H]2C)c(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-10-6-11(2)15(13(16)7-10)18-14(20)9-19-5-4-17-8-12(19)3/h6-7,12,17H,4-5,8-9H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyCJDZKYJCKUOWTP-LBPRGKRZSA-N
MW295.81 g/mol
LogP2.19
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (PubChem CID 82704766) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
PubChem CID82704766
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCNC[C@@H]2C)c(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-10-6-11(2)15(13(16)7-10)18-14(20)9-19-5-4-17-8-12(19)3/h6-7,12,17H,4-5,8-9H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyCJDZKYJCKUOWTP-LBPRGKRZSA-N
XLogP2.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (CID 82704766) is N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is Cc1cc(C)c(NC(=O)CN2CCNC[C@@H]2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The InChIKey is CJDZKYJCKUOWTP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10-6-11(2)15(13(16)7-10)18-14(20)9-19-5-4-17-8-12(19)3/h6-7,12,17H,4-5,8-9H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 82704766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).