3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide

C19H27N3O3 — CID 108943652

IUPAC3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cccc(N2CCN(C(=O)CC(=O)NCC3CCCO3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-15-4-2-5-16(12-15)21-7-9-22(10-8-21)19(24)13-18(23)20-14-17-6-3-11-25-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3,(H,20,23)
InChIKeyJYVFVNRMHWZHSY-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.33
Rot. Bonds5

About 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide

3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 108943652) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide
PubChem CID108943652
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cccc(N2CCN(C(=O)CC(=O)NCC3CCCO3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-15-4-2-5-16(12-15)21-7-9-22(10-8-21)19(24)13-18(23)20-14-17-6-3-11-25-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3,(H,20,23)
InChIKeyJYVFVNRMHWZHSY-UHFFFAOYSA-N
XLogP1.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(oxolan-2-ylmethyl)propanamide
CID 108960037
2-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133498
[4-(3-methylphenyl)piperazin-1-yl]-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276969
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone
CID 108994268
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-[(2R)-oxan-2-yl]ethyl]acetamide
CID 99974038
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide
CID 86285043
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 108507662
1-[2-(3-methylphenyl)acetyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003393
2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7124189

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide (CID 108943652) is 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide is Cc1cccc(N2CCN(C(=O)CC(=O)NCC3CCCO3)CC2)c1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is JYVFVNRMHWZHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15-4-2-5-16(12-15)21-7-9-22(10-8-21)19(24)13-18(23)20-14-17-6-3-11-25-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3,(H,20,23).
What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide?
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 345.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 108943652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).