2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide

C22H30N4O — CID 118776776

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide
SMILESCCC(NC(=O)CN1CCN(c2cccc(C)c2)CC1)c1ccc(C)cn1
InChIInChI=1S/C22H30N4O/c1-4-20(21-9-8-18(3)15-23-21)24-22(27)16-25-10-12-26(13-11-25)19-7-5-6-17(2)14-19/h5-9,14-15,20H,4,10-13,16H2,1-3H3,(H,24,27)
InChIKeySKMBHCMKYHWQND-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.09
Rot. Bonds6

About 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide

2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide (PubChem CID 118776776) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide
PubChem CID118776776
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide
SMILESCCC(NC(=O)CN1CCN(c2cccc(C)c2)CC1)c1ccc(C)cn1
InChIInChI=1S/C22H30N4O/c1-4-20(21-9-8-18(3)15-23-21)24-22(27)16-25-10-12-26(13-11-25)19-7-5-6-17(2)14-19/h5-9,14-15,20H,4,10-13,16H2,1-3H3,(H,24,27)
InChIKeySKMBHCMKYHWQND-UHFFFAOYSA-N
XLogP3.09
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029350
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 91831816
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 34737670
N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34733225
N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34732047
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346590
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide (CID 118776776) is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide is CCC(NC(=O)CN1CCN(c2cccc(C)c2)CC1)c1ccc(C)cn1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide?
The InChIKey is SKMBHCMKYHWQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-20(21-9-8-18(3)15-23-21)24-22(27)16-25-10-12-26(13-11-25)19-7-5-6-17(2)14-19/h5-9,14-15,20H,4,10-13,16H2,1-3H3,(H,24,27).
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide?
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide is sourced from PubChem (CID 118776776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).