3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide

C20H31N3O2 — CID 108950423

IUPAC3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C20H31N3O2/c1-4-9-22(10-5-2)19(24)16-20(25)23-13-11-21(12-14-23)18-8-6-7-17(3)15-18/h6-8,15H,4-5,9-14,16H2,1-3H3
InChIKeyPMBCNEKVYUCAAM-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.68
Rot. Bonds7

About 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide

3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide (PubChem CID 108950423) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide
PubChem CID108950423
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C20H31N3O2/c1-4-9-22(10-5-2)19(24)16-20(25)23-13-11-21(12-14-23)18-8-6-7-17(3)15-18/h6-8,15H,4-5,9-14,16H2,1-3H3
InChIKeyPMBCNEKVYUCAAM-UHFFFAOYSA-N
XLogP2.68
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide
CID 113135910
3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029274
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950439
2-(3-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004018
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 110838938
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
CID 113097571
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164005

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide?
The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide (CID 108950423) is 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CC(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide?
The InChIKey is PMBCNEKVYUCAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-9-22(10-5-2)19(24)16-20(25)23-13-11-21(12-14-23)18-8-6-7-17(3)15-18/h6-8,15H,4-5,9-14,16H2,1-3H3.
What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide?
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide has a molecular weight of 345.49 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide is sourced from PubChem (CID 108950423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).