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

C19H29N3O3 — CID 108957060

IUPAC3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H29N3O3/c1-5-10-20-17(23)19(2,3)18(24)22-13-11-21(12-14-22)15-6-8-16(25-4)9-7-15/h6-9H,5,10-14H2,1-4H3,(H,20,23)
InChIKeyVTELUVZKEIOBBE-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.90
Rot. Bonds6

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

3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide (PubChem CID 108957060) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide
PubChem CID108957060
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H29N3O3/c1-5-10-20-17(23)19(2,3)18(24)22-13-11-21(12-14-22)15-6-8-16(25-4)9-7-15/h6-9H,5,10-14H2,1-4H3,(H,20,23)
InChIKeyVTELUVZKEIOBBE-UHFFFAOYSA-N
XLogP1.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide
CID 108957034
2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 108964842
3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963536
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
CID 60648289
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 113198091
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
N-(2-methoxyethyl)-2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108959490
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 109165116
2-tert-butylsulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 78775432
4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103271
N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide?
The IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide (CID 108957060) is 3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide?
The canonical SMILES for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide is CCCNC(=O)C(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide?
The InChIKey is VTELUVZKEIOBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-10-20-17(23)19(2,3)18(24)22-13-11-21(12-14-22)15-6-8-16(25-4)9-7-15/h6-9H,5,10-14H2,1-4H3,(H,20,23).
What are the key properties of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide?
3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide is sourced from PubChem (CID 108957060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).