N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide

C22H31N5O — CID 2811491

IUPACN-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCCc1cnc(N2CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)nc1
InChIInChI=1S/C22H31N5O/c1-4-5-18-14-23-22(24-15-18)27-12-10-26(11-13-27)16-21(28)25-20-8-6-19(7-9-20)17(2)3/h6-9,14-15,17H,4-5,10-13,16H2,1-3H3,(H,25,28)
InChIKeyRYZYVQIHKDEKEK-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.31
Rot. Bonds7

About N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide

N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide (PubChem CID 2811491) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide
PubChem CID2811491
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCCc1cnc(N2CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)nc1
InChIInChI=1S/C22H31N5O/c1-4-5-18-14-23-22(24-15-18)27-12-10-26(11-13-27)16-21(28)25-20-8-6-19(7-9-20)17(2)3/h6-9,14-15,17H,4-5,10-13,16H2,1-3H3,(H,25,28)
InChIKeyRYZYVQIHKDEKEK-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 133404758
N-(4-propan-2-ylphenyl)-2-(2-propylimidazol-1-yl)acetamide
CID 71846694
2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56792884
1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 155957576
N-(4-butan-2-ylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 42913960
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60508798
N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3545581
2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 17281533
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653660

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide (CID 2811491) is N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide is CCCc1cnc(N2CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)nc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is RYZYVQIHKDEKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-4-5-18-14-23-22(24-15-18)27-12-10-26(11-13-27)16-21(28)25-20-8-6-19(7-9-20)17(2)3/h6-9,14-15,17H,4-5,10-13,16H2,1-3H3,(H,25,28).
What are the key properties of N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide?
N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2811491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).