N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

C21H29N5O — CID 109030534

IUPACN-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H29N5O/c1-21(2,3)17-7-4-5-8-18(17)24-19(27)9-12-25-13-15-26(16-14-25)20-22-10-6-11-23-20/h4-8,10-11H,9,12-16H2,1-3H3,(H,24,27)
InChIKeySKBCUTHGIPBZFX-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.92
Rot. Bonds5

About N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (PubChem CID 109030534) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
PubChem CID109030534
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H29N5O/c1-21(2,3)17-7-4-5-8-18(17)24-19(27)9-12-25-13-15-26(16-14-25)20-22-10-6-11-23-20/h4-8,10-11H,9,12-16H2,1-3H3,(H,24,27)
InChIKeySKBCUTHGIPBZFX-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24587396
N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 109029785
N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030558
N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24588722
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
N-(4-cyanophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 33473460
N-(3-phenylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030501
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109029939
tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate
CID 115580851
ethyl 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]benzoate
CID 109030572
N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109031276
N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119438834

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (CID 109030534) is N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is CC(C)(C)c1ccccc1NC(=O)CCN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is SKBCUTHGIPBZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-21(2,3)17-7-4-5-8-18(17)24-19(27)9-12-25-13-15-26(16-14-25)20-22-10-6-11-23-20/h4-8,10-11H,9,12-16H2,1-3H3,(H,24,27).
What are the key properties of N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 367.50 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109030534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).