2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

C21H32N4O2 — CID 51172052

IUPAC2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(C)C(=O)N1CCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C21H32N4O2/c1-17(2)21(27)25-14-12-23(13-15-25)16-20(26)22-18-6-8-19(9-7-18)24-10-4-3-5-11-24/h6-9,17H,3-5,10-16H2,1-2H3,(H,22,26)
InChIKeyYRICSFBTFHHYQA-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.42
Rot. Bonds5

About 2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 51172052) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID51172052
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(C)C(=O)N1CCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C21H32N4O2/c1-17(2)21(27)25-14-12-23(13-15-25)16-20(26)22-18-6-8-19(9-7-18)24-10-4-3-5-11-24/h6-9,17H,3-5,10-16H2,1-2H3,(H,22,26)
InChIKeyYRICSFBTFHHYQA-UHFFFAOYSA-N
XLogP2.42
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 18196358
2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56792884
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108995838
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 1055952
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
CID 772363
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8704277
N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide
CID 30722810

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 51172052) is 2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is CC(C)C(=O)N1CCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of 2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is YRICSFBTFHHYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-17(2)21(27)25-14-12-23(13-15-25)16-20(26)22-18-6-8-19(9-7-18)24-10-4-3-5-11-24/h6-9,17H,3-5,10-16H2,1-2H3,(H,22,26).
What are the key properties of 2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 372.51 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 51172052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).