N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide

C24H31N3O2 — CID 113125862

IUPACN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H31N3O2/c1-19(2)21-9-11-23(12-10-21)27(20(3)28)14-13-24(29)26-17-15-25(16-18-26)22-7-5-4-6-8-22/h4-12,19H,13-18H2,1-3H3
InChIKeyRQIRUYJJVKXZQT-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.90
Rot. Bonds6

About N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide

N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 113125862) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID113125862
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H31N3O2/c1-19(2)21-9-11-23(12-10-21)27(20(3)28)14-13-24(29)26-17-15-25(16-18-26)22-7-5-4-6-8-22/h4-12,19H,13-18H2,1-3H3
InChIKeyRQIRUYJJVKXZQT-UHFFFAOYSA-N
XLogP3.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-(4-propan-2-ylphenyl)acetamide
CID 113125817
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-propan-2-ylphenyl)acetamide
CID 113169807
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 1000480
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-(4-chloro-2-methylphenyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113127859
N-(5-chloro-2-methylphenyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113127710
N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113125379
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113132001
3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076206
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide (CID 113125862) is N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide is CC(=O)N(CCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is RQIRUYJJVKXZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19(2)21-9-11-23(12-10-21)27(20(3)28)14-13-24(29)26-17-15-25(16-18-26)22-7-5-4-6-8-22/h4-12,19H,13-18H2,1-3H3.
What are the key properties of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide?
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113125862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).