N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide

C19H27N3O3 — CID 113170567

IUPACN-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H27N3O3/c1-15(24)22(17-7-5-16(6-8-17)19(2,3)4)13-18(25)21-11-9-20(14-23)10-12-21/h5-8,14H,9-13H2,1-4H3
InChIKeyPSAAQOXBYZKINW-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.64
Rot. Bonds4

About N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide

N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113170567) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID113170567
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H27N3O3/c1-15(24)22(17-7-5-16(6-8-17)19(2,3)4)13-18(25)21-11-9-20(14-23)10-12-21/h5-8,14H,9-13H2,1-4H3
InChIKeyPSAAQOXBYZKINW-UHFFFAOYSA-N
XLogP1.64
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113176665
N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171494
N-(4-bromo-3-methylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113178156
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)acetamide
CID 113173316
N-(2,6-difluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113181393
N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113175567
N-(2,5-dichlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113179693
N-(4-tert-butylphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944764
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171492
N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113175551
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113176972

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 113170567) is N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is PSAAQOXBYZKINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15(24)22(17-7-5-16(6-8-17)19(2,3)4)13-18(25)21-11-9-20(14-23)10-12-21/h5-8,14H,9-13H2,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113170567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).