2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide

C21H28N4O2 — CID 28809319

IUPAC2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
SMILESCc1ccccc1Oc1ncccc1CNC(=O)C[C@H]1CN(C)CCN1C
InChIInChI=1S/C21H28N4O2/c1-16-7-4-5-9-19(16)27-21-17(8-6-10-22-21)14-23-20(26)13-18-15-24(2)11-12-25(18)3/h4-10,18H,11-15H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeyOCZGWIUZBPYBCQ-SFHVURJKSA-N
MW368.48 g/mol
LogP2.43
Rot. Bonds6

About 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide

2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide (PubChem CID 28809319) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
PubChem CID28809319
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
SMILESCc1ccccc1Oc1ncccc1CNC(=O)C[C@H]1CN(C)CCN1C
InChIInChI=1S/C21H28N4O2/c1-16-7-4-5-9-19(16)27-21-17(8-6-10-22-21)14-23-20(26)13-18-15-24(2)11-12-25(18)3/h4-10,18H,11-15H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeyOCZGWIUZBPYBCQ-SFHVURJKSA-N
XLogP2.43
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 56740696
2-(2H-indazol-3-yl)-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 26392610
2-(2-ethylimidazol-1-yl)-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 56760557
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 56751374
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56749217
5-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1H-imidazole-2-carboxamide
CID 56746207
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one
CID 115414554
2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 74250702
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 42291769
2-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296801
3-[2-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]oxadiazol-3-ium-5-olate
CID 45243417
2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 91837266

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide (CID 28809319) is 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide is Cc1ccccc1Oc1ncccc1CNC(=O)C[C@H]1CN(C)CCN1C.
What is the InChIKey of 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide?
The InChIKey is OCZGWIUZBPYBCQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16-7-4-5-9-19(16)27-21-17(8-6-10-22-21)14-23-20(26)13-18-15-24(2)11-12-25(18)3/h4-10,18H,11-15H2,1-3H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide?
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 28809319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).