2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide

C20H31N3O2 — CID 108964842

IUPAC2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-4-5-9-12-21-18(24)20(2,3)19(25)23-15-13-22(14-16-23)17-10-7-6-8-11-17/h6-8,10-11H,4-5,9,12-16H2,1-3H3,(H,21,24)
InChIKeyUHQBNYXQTVOFPD-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.67
Rot. Bonds7

About 2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide

2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 108964842) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID108964842
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-4-5-9-12-21-18(24)20(2,3)19(25)23-15-13-22(14-16-23)17-10-7-6-8-11-17/h6-8,10-11H,4-5,9,12-16H2,1-3H3,(H,21,24)
InChIKeyUHQBNYXQTVOFPD-UHFFFAOYSA-N
XLogP2.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide
CID 108957034
3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide
CID 108957060
2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 108963654
N-butyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]benzamide
CID 110675110
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108960695
N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123098
N-(2-methoxyethyl)-2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108959490
3-[4-(2-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(2-phenylethyl)propanamide
CID 108963817
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-propylpropanamide
CID 108957012

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of 2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide (CID 108964842) is 2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide is CCCCCNC(=O)C(C)(C)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is UHQBNYXQTVOFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-5-9-12-21-18(24)20(2,3)19(25)23-15-13-22(14-16-23)17-10-7-6-8-11-17/h6-8,10-11H,4-5,9,12-16H2,1-3H3,(H,21,24).
What are the key properties of 2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide?
2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 108964842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).