2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide

C19H29N3O2 — CID 108957034

IUPAC2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C19H29N3O2/c1-5-9-20-17(23)19(3,4)18(24)22-12-10-21(11-13-22)16-8-6-7-15(2)14-16/h6-8,14H,5,9-13H2,1-4H3,(H,20,23)
InChIKeyFOOOOPFUVMDIRC-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.20
Rot. Bonds5

About 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide

2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide (PubChem CID 108957034) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide
PubChem CID108957034
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C19H29N3O2/c1-5-9-20-17(23)19(3,4)18(24)22-12-10-21(11-13-22)16-8-6-7-15(2)14-16/h6-8,14H,5,9-13H2,1-4H3,(H,20,23)
InChIKeyFOOOOPFUVMDIRC-UHFFFAOYSA-N
XLogP2.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108959490
2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108961842
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108960037
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 79813373
3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide
CID 108957060
2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 108964842
6-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propylpyridine-2-carboxamide
CID 109093481
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(1-phenylethyl)propanamide
CID 108962129
4-[2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108961055
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide?
The IUPAC name of 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide (CID 108957034) is 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide.
What is the SMILES notation for 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide?
The canonical SMILES for 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide is CCCNC(=O)C(C)(C)C(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide?
The InChIKey is FOOOOPFUVMDIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-5-9-20-17(23)19(3,4)18(24)22-12-10-21(11-13-22)16-8-6-7-15(2)14-16/h6-8,14H,5,9-13H2,1-4H3,(H,20,23).
What are the key properties of 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide?
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide has a molecular weight of 331.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide is sourced from PubChem (CID 108957034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).