2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide

C22H31N5O — CID 86868261

IUPAC2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CN1CCN(c2cc(C)nc(C)n2)CC1)c1ccccc1
InChIInChI=1S/C22H31N5O/c1-4-8-20(19-9-6-5-7-10-19)25-22(28)16-26-11-13-27(14-12-26)21-15-17(2)23-18(3)24-21/h5-7,9-10,15,20H,4,8,11-14,16H2,1-3H3,(H,25,28)
InChIKeyGAIKHLILCYKFCQ-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.87
Rot. Bonds7

About 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide

2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide (PubChem CID 86868261) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide
PubChem CID86868261
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CN1CCN(c2cc(C)nc(C)n2)CC1)c1ccccc1
InChIInChI=1S/C22H31N5O/c1-4-8-20(19-9-6-5-7-10-19)25-22(28)16-26-11-13-27(14-12-26)21-15-17(2)23-18(3)24-21/h5-7,9-10,15,20H,4,8,11-14,16H2,1-3H3,(H,25,28)
InChIKeyGAIKHLILCYKFCQ-UHFFFAOYSA-N
XLogP2.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346590
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9347122
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346721
N-[(1S)-1-phenylbutyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9347917
2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
CID 79322712
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 110891594
1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 119904107
N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
CID 8719392
2-(1,4-diazepan-1-yl)-N-(1-phenylbutyl)acetamide
CID 62838472
2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]acetic acid
CID 55118911
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86911679

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide?
The IUPAC name of 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide (CID 86868261) is 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide.
What is the SMILES notation for 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide?
The canonical SMILES for 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide is CCCC(NC(=O)CN1CCN(c2cc(C)nc(C)n2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide?
The InChIKey is GAIKHLILCYKFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-4-8-20(19-9-6-5-7-10-19)25-22(28)16-26-11-13-27(14-12-26)21-15-17(2)23-18(3)24-21/h5-7,9-10,15,20H,4,8,11-14,16H2,1-3H3,(H,25,28).
What are the key properties of 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide?
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide is sourced from PubChem (CID 86868261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).